46499177
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2.866
4.5981
8.9757
4.5981
5.4641
6.3301
4.5981
4.5981
3.732
4.5981
5.4641
5.4641
4.5981
6.3301
5.4641
6.3301
6.3301
3.732
2.866
5.4641
3.732
5.4641
7.1962
2.866
2
2
8.0622
8.1667
9.1448
9.6448
5.2087
4.8101
3.9875
4.386
6.001
4.0611
6.8671
6.8671
4.269
2.866
6.8671
3.422
3.1951
4.042
4.8441
5.4641
6.0841
7.1962
1.4631
1.4631
7.706
9.397
10.2615
5.75
-0.25
0.1567
-1.25
1.25
-1.25
2.75
1.75
3.25
-4.25
-2.75
-4.75
-3.25
-0.25
0.25
-3.25
-4.25
4.25
2.75
-1.75
-4.75
-5.75
0.25
4.75
3.25
4.25
-0.25
-1.2445
-1.4524
-0.5864
2.6423
3.3326
1.8577
1.1674
1.56
-2.94
-2.94
-4.56
4.56
2.13
-1.56
-4.2131
-5.06
-5.2869
-5.75
-6.37
-5.75
0.87
2.94
4.56
-1.6594
-2.0188
-0.5216
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0
Compound
Canonicalized
5
2010.07.16
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
624
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
7
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07B310000000000000000000000000000012000000030600000000000000001D000001F00100000000C0CE1980E320482C004408802AD52D0008208002422000888818E0CC80C663284B53B963928E4D61188A9C79888C08EC0000200001000008000040000200000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[(Z)-1-[2-(3-fluorophenyl)ethylcarbamoyl]-2-(2-furyl)vinyl]-3,4-dimethyl-benzamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[(Z)-3-[2-(3-fluorophenyl)ethylamino]-1-(2-furanyl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[(Z)-3-[2-(3-fluorophenyl)ethylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[(Z)-3-[2-(3-fluorophenyl)ethylamino]-1-(furan-2-yl)-3-oxidanylidene-prop-1-en-2-yl]-3,4-dimethyl-benzamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[(Z)-1-[2-(3-fluorophenyl)ethylcarbamoyl]-2-(2-furyl)vinyl]-3,4-dimethyl-benzamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C24H23FN2O3/c1-16-8-9-19(13-17(16)2)23(28)27-22(15-21-7-4-12-30-21)24(29)26-11-10-18-5-3-6-20(25)14-18/h3-9,12-15H,10-11H2,1-2H3,(H,26,29)(H,27,28)/b22-15-
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
VEEXQTSIMKSVIO-JCMHNJIXSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
4.6
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
406.169271
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C24H23FN2O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
406.449423
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=C(C=C(C=C1)C(=O)NC(=CC2=CC=CO2)C(=O)NCCC3=CC(=CC=C3)F)C
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=C(C=C(C=C1)C(=O)N/C(=C\C2=CC=CO2)/C(=O)NCCC3=CC(=CC=C3)F)C
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
71.3
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
406.169271
30
0
0
0
1
1
0
0
1
10