2806120
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255
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9.7942
6.3301
8.0622
12.3923
2.866
8.9282
8.0622
8.0622
7.1962
8.9282
7.1962
8.9282
9.7942
8.9282
8.0622
5.4641
10.6603
9.7942
4.5981
5.4641
11.5263
11.5263
10.6603
3.732
3.732
4.5981
12.3923
2
7.8501
7.4516
9.4651
6.6592
9.4651
8.0622
10.6603
9.2573
4.5981
6.001
12.0632
10.6603
3.1951
4.5981
13.0123
12.3923
11.7723
2.31
1.4631
1.69
-1.75
-1.75
1.25
2.75
-3.75
-0.25
-1.75
-0.75
-2.25
-2.25
-3.25
0.75
1.25
-3.25
-3.75
-2.25
0.75
2.25
-1.75
-3.25
2.25
1.25
2.75
-3.25
-2.25
-3.75
3.75
-3.25
-0.1674
-0.8577
-0.56
-3.56
-3.56
-4.37
0.13
2.56
-1.13
-3.56
0.94
3.37
-1.94
-4.37
3.75
4.37
3.75
-2.7131
-2.94
-3.7869
8
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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
475
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
5
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
1
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
00000371E07A39000000000000000000000000000000000000003060C0000000000000015000001F00100000000C04C1980E320682C004008802215210008208002420000888810E0CC80C263284B51B863928E6C61188A987D8DC22CE21000000000800004200000000100000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[[2-fluoro-6-(4-methoxyphenoxy)phenyl]methyl]-4-methoxy-benzamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[[2-fluoro-6-(4-methoxyphenoxy)phenyl]methyl]-4-methoxybenzamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[[2-fluoro-6-(4-methoxyphenoxy)phenyl]methyl]-4-methoxybenzamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[[2-fluoranyl-6-(4-methoxyphenoxy)phenyl]methyl]-4-methoxy-benzamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[2-fluoro-6-(4-methoxyphenoxy)benzyl]-4-methoxy-benzamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C22H20FNO4/c1-26-16-8-6-15(7-9-16)22(25)24-14-19-20(23)4-3-5-21(19)28-18-12-10-17(27-2)11-13-18/h3-13H,14H2,1-2H3,(H,24,25)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
HJGRSWSHKKXSCJ-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
4.3
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
381.137636
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C22H20FNO4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
381.396903
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=CC=C(C=C1)C(=O)NCC2=C(C=CC=C2F)OC3=CC=C(C=C3)OC
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=CC=C(C=C1)C(=O)NCC2=C(C=CC=C2F)OC3=CC=C(C=C3)OC
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
56.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
381.137636
28
0
0
0
0
0
0
0
1
2