903743
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17
8
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6
6
1
1
1
1
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1
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5
255
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2
3.732
6.3301
5.4641
5.4641
3.732
6.3301
3.732
4.5981
4.5981
2.866
4.5981
4.5981
3.732
2.866
5.4641
3.732
5.4641
5.4641
3.732
4.5981
5.135
3.1951
2.3291
3.1951
6.001
3.1951
4.5981
6.8671
6.3301
-0.75
-3.75
1.75
0.25
-3.75
0.25
-2.25
-0.75
-1.25
-2.25
-1.25
1.75
0.75
-2.75
-2.25
2.25
2.25
-2.75
3.25
3.25
3.75
-0.94
0.56
-2.56
1.94
3.56
3.56
4.37
-2.56
-1.63
8
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
408
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
2
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
2
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
3
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371C0733000060000000000000000000000000000000000306000000000000000014000001E02100000000C0A81982030C082C000008802255250008200002507000888010066C8082032C19791C42108609400C8CD871C88008E04004040008100100800808001020020000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
2,4-dichloro-5-[(2-chlorobenzoyl)amino]benzamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
2,4-dichloro-5-[[(2-chlorophenyl)-oxomethyl]amino]benzamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
2,4-dichloro-5-[(2-chlorobenzoyl)amino]benzamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
2,4-bis(chloranyl)-5-[(2-chlorophenyl)carbonylamino]benzamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
2,4-dichloro-5-[(2-chlorobenzoyl)amino]benzamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C14H9Cl3N2O2/c15-9-4-2-1-3-7(9)14(21)19-12-5-8(13(18)20)10(16)6-11(12)17/h1-6H,(H2,18,20)(H,19,21)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
ULODHURADGYTOX-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
3.5
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
341.972961
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C14H9Cl3N2O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
343.59246
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C(=C1)C(=O)NC2=C(C=C(C(=C2)C(=O)N)Cl)Cl)Cl
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C(=C1)C(=O)NC2=C(C=C(C(=C2)C(=O)N)Cl)Cl)Cl
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
72.2
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
341.972961
21
0
0
0
0
0
0
0
1
4