2-bromo-N-(4-methylphenyl)propanamide
PubChem CID
3276766
Structure
Molecular Formula
Synonyms
- 2-bromo-N-(4-methylphenyl)propanamide
- 58532-75-5
- 2-Bromo-N-(p-tolyl)propanamide
- MFCD00466382
- DTXSID50390948
Molecular Weight
242.11 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2005-09-06
- Modify:2024-12-28
Chemical Structure Depiction
2-bromo-N-(4-methylphenyl)propanamide
Computed by Lexichem TK 2.7.0 (PubChem release 2021.05.07)
InChI=1S/C10H12BrNO/c1-7-3-5-9(6-4-7)12-10(13)8(2)11/h3-6,8H,1-2H3,(H,12,13)
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
TZDLHQHUDYMDAF-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
CC1=CC=C(C=C1)NC(=O)C(C)Br
Computed by OEChem 2.3.0 (PubChem release 2021.05.07)
C10H12BrNO
Computed by PubChem 2.1 (PubChem release 2021.05.07)
58532-75-5
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
242.11 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
2.7
Reference
Computed by XLogP3 3.0 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Exact Mass
Property Value
241.01023 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
241.01023 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
29.1Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Heavy Atom Count
Property Value
13
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
176
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
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
1
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 2021.05.07)
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Same Connectivity Count
Same Parent, Connectivity Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
- EPA DSSTox2-bromo-N-(4-methylphenyl)propanamidehttps://comptox.epa.gov/dashboard/DTXSID50390948
- Japan Chemical Substance Dictionary (Nikkaji)
- SpectraBase2-bromo-N-(4-methylphenyl)propanamidehttps://spectrabase.com/spectrum/GqR4jPnrtA
- Wikidata2-bromo-N-(4-methylphenyl)propanamidehttps://www.wikidata.org/wiki/Q82188106
- PubChem
CONTENTS