69705159
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3.732
5.4641
2.866
6.3301
3.732
3.732
4.5981
2.866
3.732
5.4641
4.5981
5.4641
4.5981
6.3301
4.5981
7.1962
7.1962
3.732
2.866
4.5981
2.866
2
4.5981
3.732
3.3335
4.1306
2.2554
2.654
4.1306
3.3335
5.135
2.3291
4.386
3.9875
6.3301
7.7331
7.7331
3.1951
5.135
2.3291
2.31
1.4631
1.69
5.135
-4.5
-0.5
4
3
-0.5
2.5
3
3
4.5
2.5
4
1.5
1
1
0
1.5
2.5
-1.5
-2
-2
-3
-1.5
-3
-3.5
2.025
2.025
3.1077
2.4174
4.975
4.975
4.31
4.31
1.5826
0.8923
0.38
1.19
2.81
-0.19
-1.69
-3.31
-0.9631
-1.19
-2.0369
-3.31
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0
Compound
Canonicalized
5
2012.11.26
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
468
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
2
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E07B21000000000000000000000000000000000000003C408000000000000001C000001F00100000000C08C19E0C3EC092C81000A8033577540082802031022008D8A13864980820F2C09591842008609400C8C8071C88808E00000000000200000000000000040000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-(4-fluoro-2-methyl-phenyl)-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridyl]acetamide
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-(4-fluoro-2-methylphenyl)-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]acetamide
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-(4-fluoro-2-methylphenyl)-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-3-yl]acetamide
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-(4-fluoranyl-2-methyl-phenyl)-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-3-yl]ethanamide
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-(4-fluoro-2-methyl-phenyl)-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridyl]acetamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C19H20FN3O/c1-13-11-16(20)4-5-17(13)23-18(24)12-15-3-2-8-22-19(15)14-6-9-21-10-7-14/h2-6,8,11,21H,7,9-10,12H2,1H3,(H,23,24)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
BOMZJDWSTVXAMD-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.11.26
1.9
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
325.15904
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C19H20FN3O
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
325.380003
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
CC1=C(C=CC(=C1)F)NC(=O)CC2=C(N=CC=C2)C3=CCNCC3
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
CC1=C(C=CC(=C1)F)NC(=O)CC2=C(N=CC=C2)C3=CCNCC3
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
54
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
325.15904
24
0
0
0
0
0
0
0
1
5