10406952
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255
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2.866
4.5981
5.4641
6.3301
8.0622
5.4641
5.4641
6.3301
4.5981
6.3301
4.5981
6.3301
5.4641
3.732
7.1962
5.4641
2.866
5.4641
4.5981
4.5981
7.1962
3.732
5.4641
2
6.3301
2.866
2
2
4.0611
6.8671
4.0611
6.8671
6.8671
6.001
4.9272
4.0611
4.269
7.7331
4.9272
1.4631
6.3301
2.866
1.4631
8.5991
8.0622
2.31
1.4631
1.69
-2.5
2.5
-4
2.5
3.5
1
-1
3.5
0.5
0.5
-0.5
-0.5
2
-4
4
-2
-3.5
4
-3.5
-2.5
5
-5
5
-4
5.5
-5.5
-5
-2
0.81
0.81
-0.81
-0.81
2.19
-2.31
3.69
-2.19
-5.31
5.31
5.31
-3.69
6.12
-6.12
-5.31
3.81
2.88
-1.4631
-1.69
-2.5369
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0
Compound
Canonicalized
5
2010.01.29
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
554
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
4
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
6
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07B30000000000000000000000000000000000000003060C0000000000000015000001E00100000000C0C81980232C682C004008802A5525000820800252200088801067CC80C6636C4B59B94316864F411C8E98798C8A08E40000000000800208000000000100040000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-(2-aminophenyl)-4-[(E)-3-(2-methoxyphenyl)-3-oxo-prop-1-enyl]benzamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-(2-aminophenyl)-4-[(E)-3-(2-methoxyphenyl)-3-oxoprop-1-enyl]benzamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-(2-aminophenyl)-4-[(E)-3-(2-methoxyphenyl)-3-oxoprop-1-enyl]benzamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-(2-aminophenyl)-4-[(E)-3-(2-methoxyphenyl)-3-oxidanylidene-prop-1-enyl]benzamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-(2-aminophenyl)-4-[(E)-3-keto-3-(2-methoxyphenyl)prop-1-enyl]benzamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C23H20N2O3/c1-28-22-9-5-2-6-18(22)21(26)15-12-16-10-13-17(14-11-16)23(27)25-20-8-4-3-7-19(20)24/h2-15H,24H2,1H3,(H,25,27)/b15-12+
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
LWIINOVBXFRJSQ-NTCAYCPXSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
3.8
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
372.147393
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C23H20N2O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
372.4165
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=CC=CC=C1C(=O)C=CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=CC=CC=C1C(=O)/C=C/C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
81.4
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
372.147393
28
0
0
0
1
1
0
0
1
2