49792539
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10.7619
4.6783
6.7619
5.4641
2.866
6.7619
4.5981
4.6783
5.2619
3.732
3.732
2.866
6.2619
2.866
2
2
3.732
2
3.732
7.7619
2
2.866
8.2619
8.2619
4.5981
9.2619
9.2619
9.7619
5.2156
4.4272
5.5436
1.4631
1.4631
6.4519
4.269
1.4631
1.4631
2.866
7.9519
7.9519
9.5719
9.5719
5.135
4.0611
-2.655
-2.5937
-0.9229
1.711
-2.789
-2.655
3.211
-0.9842
-1.789
-1.289
-2.289
-0.789
-1.789
0.211
-1.289
-2.289
0.711
0.711
1.711
-2.655
1.711
2.211
-3.521
-1.789
2.211
-3.521
-1.789
-2.655
-0.675
-0.4173
-2.3413
-0.979
-2.599
-3.1919
0.401
0.401
2.021
2.831
-4.058
-1.252
-4.058
-1.252
3.521
3.521
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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
581
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
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07B30000400000000000000000000000001200000003C608000000000005801D000001E02100000000C1EE19A263CC492C81400A8023577540282882035272008D8217C6ED80E2672C5B79F8F3928E4D411D8E987B8DDF28E80004200000000000000840000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-(3-carbamoylphenyl)-N-(4-chlorophenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-(3-carbamoylphenyl)-N-(4-chlorophenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-(3-carbamoylphenyl)-N-(4-chlorophenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-(3-aminocarbonylphenyl)-N-(4-chlorophenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-(3-carbamoylphenyl)-N-(4-chlorophenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C21H16ClN3O3/c22-14-4-6-15(7-5-14)25-20(27)18-11-17-16(8-9-24-21(17)28-18)12-2-1-3-13(10-12)19(23)26/h1-10,18H,11H2,(H2,23,26)(H,25,27)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
HGYMXYGMSWNTGD-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
3.3
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
393.088019
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C21H16ClN3O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
393.82304
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
C1C(OC2=NC=CC(=C21)C3=CC(=CC=C3)C(=O)N)C(=O)NC4=CC=C(C=C4)Cl
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
C1C(OC2=NC=CC(=C21)C3=CC(=CC=C3)C(=O)N)C(=O)NC4=CC=C(C=C4)Cl
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
94.3
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
393.088019
28
1
0
1
0
0
0
0
1
6