19057181
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255
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10.6394
2.866
8.9757
4.5981
4.5981
5.4641
6.3301
4.5981
4.5981
3.732
5.4641
6.3301
5.4641
3.732
5.4641
7.1962
4.5981
5.4641
5.4641
8.0622
4.5981
6.3301
8.1667
4.5981
6.3301
9.1448
2
5.4641
9.6448
4.386
3.9875
6.001
6.001
3.1951
6.001
6.8671
7.1962
4.5981
4.0611
6.8671
7.706
4.0611
6.8671
9.397
1.69
1.4631
2.31
5.4641
0.4819
-2.75
-0.1567
0.25
1.25
-1.25
1.25
-1.75
-2.75
-3.25
-3.25
0.25
-0.25
-4.25
-4.25
-0.25
-4.75
2.75
1.75
0.25
3.25
3.25
1.2445
4.25
4.25
1.4524
-3.25
4.75
0.5864
-1.1674
-1.8577
-1.56
-2.94
-4.56
-4.56
1.56
-0.87
-5.37
2.94
2.94
1.6594
4.56
4.56
2.0188
-2.7131
-3.56
-3.7869
5.37
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0
Compound
Canonicalized
5
2010.01.29
1
Compound Complexity
7
E_COMPLEXITY
3.396
Cactvs
xemistry.com
2012.02.08
591
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.396
Cactvs
xemistry.com
2012.02.08
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.396
Cactvs
xemistry.com
2012.02.08
2
Count
Rotatable Bond
5
E_NROTBONDS
3.396
Cactvs
xemistry.com
2012.02.08
7
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.396
Cactvs
xemistry.com
2012.02.08
00000371E07B380000020000000000000000000000012000000030600000000000000001D000001E00300000000C0CC39806320682C004408802A55250008208002422000888818E0CC80C663284B53B963928E6C61188A9C798C8208E00000000000800000000000000100000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-[(Z)-2-(5-iodo-2-furyl)-1-[(2-methoxyphenyl)methylcarbamoyl]vinyl]benzamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-[(Z)-1-(5-iodo-2-furanyl)-3-[(2-methoxyphenyl)methylamino]-3-oxoprop-1-en-2-yl]benzamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-[(Z)-1-(5-iodofuran-2-yl)-3-[(2-methoxyphenyl)methylamino]-3-oxoprop-1-en-2-yl]benzamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-[(Z)-1-(5-iodanylfuran-2-yl)-3-[(2-methoxyphenyl)methylamino]-3-oxidanylidene-prop-1-en-2-yl]benzamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-[(Z)-2-(5-iodo-2-furyl)-1-(o-anisylcarbamoyl)vinyl]benzamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
InChI=1S/C22H19IN2O4/c1-28-19-10-6-5-9-16(19)14-24-22(27)18(13-17-11-12-20(23)29-17)25-21(26)15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,24,27)(H,25,26)/b18-13-
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
SQJCGJGSXPGMDL-AQTBWJFISA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.02.08
3.9
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
502.038955
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
C22H19IN2O4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
502.30173
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.02.08
COC1=CC=CC=C1CNC(=O)C(=CC2=CC=C(O2)I)NC(=O)C3=CC=CC=C3
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.02.08
COC1=CC=CC=C1CNC(=O)/C(=C/C2=CC=C(O2)I)/NC(=O)C3=CC=CC=C3
Topological
Polar Surface Area
7
E_TPSA
3.396
Cactvs
xemistry.com
2012.02.08
80.6
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
502.038955
29
0
0
0
1
1
0
0
1
4