4488562
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255
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3.732
5.4641
7.1962
5.4641
6.3301
4.5981
5.4641
5.4641
7.1962
4.5981
3.732
8.0622
4.5981
6.3301
3.732
8.9282
4.5981
6.3301
8.0622
2.866
5.4641
2.866
9.7942
4.5981
8.9282
8.9282
2
9.7942
2
5.4641
6.3301
4.0611
4.0611
6.8671
6.8671
2.866
7.5252
2.866
10.3312
4.9081
5.135
8.3082
8.9282
9.5482
4.2881
1.4631
8.9282
1.4631
10.3312
-2.75
-3.75
-0.75
2.25
0.75
0.75
0.25
-0.75
0.25
1.75
2.25
0.75
-1.25
-1.25
3.25
0.25
-2.25
-2.25
1.75
1.75
-2.75
3.75
0.75
3.75
-0.75
2.25
2.25
1.75
3.25
0.87
1.37
0.44
-0.94
-0.94
-2.56
1.13
2.06
4.37
0.44
3.2131
4.06
-0.75
-1.37
-0.75
4.2869
1.94
2.87
3.56
2.06
8
8
8
8
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8
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8
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8
8
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11
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27
13
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29
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.04.04
537
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.04.04
2
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.04.04
2
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.04.04
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.04.04
00000371E07B30000600000000000000000000000000000000003060C0000000000000015000001E02100000000C02C19824330082C00000880221521000820000240500088AC10806C88820328197118421086887028889871888808E84000020001000040800004000200008000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.04.04
N-[(3,4-dichlorophenyl)-[(2-methylbenzoyl)amino]methyl]-2-methyl-benzamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.04.04
N-[(3,4-dichlorophenyl)-[[(2-methylphenyl)-oxomethyl]amino]methyl]-2-methylbenzamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.04.04
N-[(3,4-dichlorophenyl)-[(2-methylbenzoyl)amino]methyl]-2-methylbenzamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.04.04
N-[(3,4-dichlorophenyl)-[(2-methylphenyl)carbonylamino]methyl]-2-methyl-benzamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.04.04
N-[(3,4-dichlorophenyl)-(o-toluoylamino)methyl]-2-methyl-benzamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.04.04
InChI=1S/C23H20Cl2N2O2/c1-14-7-3-5-9-17(14)22(28)26-21(16-11-12-19(24)20(25)13-16)27-23(29)18-10-6-4-8-15(18)2/h3-13,21H,1-2H3,(H,26,28)(H,27,29)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.04.04
AFPGQTVJNKIDMU-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.04.04
5.8
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
426.090183
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
C23H20Cl2N2O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
427.3231
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.04.04
CC1=CC=CC=C1C(=O)NC(C2=CC(=C(C=C2)Cl)Cl)NC(=O)C3=CC=CC=C3C
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.04.04
CC1=CC=CC=C1C(=O)NC(C2=CC(=C(C=C2)Cl)Cl)NC(=O)C3=CC=CC=C3C
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.04.04
58.2
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
426.090183
29
0
0
0
0
0
0
0
1
3