5445747
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7
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31
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255
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2.866
5.3596
4.5981
8.0622
5.4641
7.1962
4.5981
4.5981
3.732
5.4641
6.3301
5.4641
3.732
5.4641
4.5981
6.3301
8.9282
8.0622
5.4641
9.7942
8.9282
4.5506
10.6603
9.7942
2
3.8814
10.6603
4.3814
4.386
3.9875
6.001
6.001
3.1951
6.001
7.1962
6.8671
4.5981
9.7942
8.3913
4.4216
11.1972
9.7942
3.2648
1.69
1.4631
2.31
11.1972
4.1292
-1.8512
3.6433
1.1488
2.1488
-0.3512
0.6488
-0.8512
-1.8512
-2.3512
-2.3512
1.1488
0.6488
-3.3512
-3.3512
-3.8512
2.1488
0.6488
1.1488
2.6488
1.1488
-0.3512
2.242
0.6488
-0.8512
-2.3512
2.9852
-0.3512
3.8512
-0.2686
-0.9589
-0.6612
-2.0412
-3.6612
-3.6612
0.0288
2.4588
-4.4712
1.7688
-0.6612
1.6356
0.9588
-1.4712
2.9204
-1.8143
-2.6612
-2.8882
-0.6612
4.4176
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
2
2
8
8
9
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13
14
17
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19
28
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28
0
Compound
Canonicalized
5
2010.01.29
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
557
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
00000371E07B380000000000000000000000000000012000000030600000000000000001D000001E00100000000C0CE19806320682C004408802AD52D0008208002422000888818E0CC80C663284B53B963928E6C61188A9C798C8208E00000000000800000000000000100000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[(E)-2-(2-furyl)-1-[(2-methoxyphenyl)methylcarbamoyl]vinyl]benzamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[(E)-1-(2-furanyl)-3-[(2-methoxyphenyl)methylamino]-3-oxoprop-1-en-2-yl]benzamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[(E)-1-(furan-2-yl)-3-[(2-methoxyphenyl)methylamino]-3-oxoprop-1-en-2-yl]benzamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[(E)-1-(furan-2-yl)-3-[(2-methoxyphenyl)methylamino]-3-oxidanylidene-prop-1-en-2-yl]benzamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[(E)-2-(2-furyl)-1-(o-anisylcarbamoyl)vinyl]benzamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C22H20N2O4/c1-27-20-12-6-5-10-17(20)15-23-22(26)19(14-18-11-7-13-28-18)24-21(25)16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H,23,26)(H,24,25)/b19-14+
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
UXYBWEXQLIODIX-XMHGGMMESA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
3.2
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
376.142307
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C22H20N2O4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
376.4052
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=CC=CC=C1CNC(=O)C(=CC2=CC=CO2)NC(=O)C3=CC=CC=C3
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=CC=CC=C1CNC(=O)/C(=C\C2=CC=CO2)/NC(=O)C3=CC=CC=C3
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
80.6
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
376.142307
28
0
0
0
1
1
0
0
1
4