6390113
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255
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2.866
4.5981
3.732
2.866
2.866
3.732
5.4641
4.5981
2.866
3.732
5.4641
6.3301
2
3.732
6.3301
7.1962
2
3.732
7.1962
2.866
2.866
2
4.5981
2.3291
4.9272
6.3301
2.3291
1.4631
4.269
6.3301
7.7331
1.4631
4.269
7.7331
2.31
1.4631
1.69
-3.75
0.25
3.75
0.25
2.25
1.75
1.75
2.25
-0.75
0.75
0.75
2.25
-1.25
-1.25
0.25
1.75
-2.25
-2.25
0.75
-2.75
3.25
3.75
2.87
0.56
0.44
2.87
1.94
-0.94
-0.94
-0.37
2.06
-2.56
-2.56
0.44
4.2869
4.06
3.2131
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
422
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
3
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
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371C07B3100000000000000000000000000000000000000306000000000000000014000001F00100000000C0881980832C082C000008802255250008200002102000888008064C8086022C091B1942008609400C8C9871080000E00000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
(E)-2-acetamido-N-(4-fluorophenyl)-3-phenyl-prop-2-enamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
(E)-2-acetamido-N-(4-fluorophenyl)-3-phenyl-2-propenamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
(E)-2-acetamido-N-(4-fluorophenyl)-3-phenylprop-2-enamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
(E)-2-acetamido-N-(4-fluorophenyl)-3-phenyl-prop-2-enamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
(E)-2-acetamido-N-(4-fluorophenyl)-3-phenyl-acrylamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C17H15FN2O2/c1-12(21)19-16(11-13-5-3-2-4-6-13)17(22)20-15-9-7-14(18)8-10-15/h2-11H,1H3,(H,19,21)(H,20,22)/b16-11+
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
WPSMFZYHLUZKQR-LFIBNONCSA-N
Log P
XLogP3
7
3.0
sioc-ccbg.ac.cn
2011.09.13
1.4
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
298.111756
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C17H15FN2O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
298.311603
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CC(=O)NC(=CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)F
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CC(=O)N/C(=C/C1=CC=CC=C1)/C(=O)NC2=CC=C(C=C2)F
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
58.2
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
298.111756
22
0
0
0
1
1
0
0
1
4