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2.866
6.3301
7.1962
8.9282
6.3301
4.5981
8.0622
8.9282
5.4641
6.3301
4.5981
5.4641
7.1962
3.732
7.1962
2.866
3.732
2
2.866
2
8.0622
8.9282
7.1962
8.0622
8.9282
7.1962
8.0622
8.9282
9.7942
8.0622
9.7942
8.0622
8.9282
9.7942
6.5422
6.9407
5.8626
5.0656
4.386
3.9875
5.0656
5.8626
7.4082
7.8067
4.269
8.5991
1.4631
2.866
1.4631
9.4651
6.6592
9.4651
6.6592
9.4651
10.3312
7.5252
10.3312
7.5252
10.1042
10.3312
9.4842
-4
-2
2.5
6.5
-4
-5
-2
2.5
-3.5
-5
-4
-5.5
-3.5
-5.5
-2.5
-5
-6.5
-5.5
-7
-6.5
-1
-0.5
-0.5
1
0.5
0.5
2
3.5
4
4
5
5
5.5
7
-5.5826
-4.8923
-3.025
-3.025
-3.4174
-4.1077
-5.975
-5.975
-4.0826
-3.3923
-6.81
-2.31
-5.19
-7.62
-6.81
-0.81
-0.81
0.81
0.81
2.19
3.69
3.69
5.31
5.31
6.4631
7.31
7.5369
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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
656
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
6
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
00000371E07BB1000000000000000000000000000000000000003C60C1000000000000015000001F00100000000C0CC1980E32C683C004008802255250008208002522000888018E6CC80C6632C4B5BB94312864D411C8E987B8C9009E08400000000000001080000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-[[2-[4-(2-fluorophenyl)-1-piperazinyl]-1-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethanoylamino]-N-(4-methoxyphenyl)benzamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-[[2-[4-(2-fluorophenyl)piperazino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C26H27FN4O3/c1-34-22-12-10-21(11-13-22)29-26(33)19-6-8-20(9-7-19)28-25(32)18-30-14-16-31(17-15-30)24-5-3-2-4-23(24)27/h2-13H,14-18H2,1H3,(H,28,32)(H,29,33)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
NITLDOAADHOIRQ-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
3.7
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
462.206719
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C26H27FN4O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
462.515983
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CN3CCN(CC3)C4=CC=CC=C4F
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CN3CCN(CC3)C4=CC=CC=C4F
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
73.9
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
462.206719
34
0
0
0
0
0
0
0
1
12