N-(2-chloro-4-nitrophenyl)-2-methylacrylamide
PubChem CID
2767533
Structure
Molecular Formula
Synonyms
- N-(2-chloro-4-nitrophenyl)-2-methylacrylamide
- 303985-92-4
- N-(2-chloro-4-nitrophenyl)-2-methylprop-2-enamide
- CHEMBL4583148
- DTXSID101233293
Molecular Weight
240.64 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2005-07-19
- Modify:2024-12-07
Chemical Structure Depiction
N-(2-chloro-4-nitrophenyl)-2-methylprop-2-enamide
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C10H9ClN2O3/c1-6(2)10(14)12-9-4-3-7(13(15)16)5-8(9)11/h3-5H,1H2,2H3,(H,12,14)
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
XFBCTBKCFIJLSQ-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CC(=C)C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl
Computed by OEChem 2.1.5 (PubChem release 2019.06.18)
C10H9ClN2O3
Computed by PubChem 2.1 (PubChem release 2019.06.18)
- N-(2-chloro-4-nitrophenyl)-2-methylacrylamide
- 303985-92-4
- N-(2-chloro-4-nitrophenyl)-2-methylprop-2-enamide
- CHEMBL4583148
- DTXSID101233293
- MFCD00793386
- AKOS015991899
- N-(2-chloro-4-nitrophenyl)methacrylamide
- 11L-726
- N-(2-Chloro-4-nitrophenyl)-2-methyl-2-propenamide
- 2-Propenamide, N-(2-chloro-4-nitrophenyl)-2-methyl-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
240.64 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3
Property Value
2.3
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
240.0301698 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
240.0301698 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
74.9Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
16
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
314
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2011.04.04)
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Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/N-(2-Chloro-4-nitrophenyl)-2-methyl-2-propenamidehttps://commonchemistry.cas.org/detail?cas_rn=303985-92-4
- EPA DSSToxN-(2-Chloro-4-nitrophenyl)-2-methyl-2-propenamidehttps://comptox.epa.gov/dashboard/DTXSID101233293
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
CONTENTS