1034747
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5
255
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2.866
9.7942
4.5981
8.9282
5.4641
7.1962
7.1962
6.3301
8.0622
6.3301
8.0622
3.732
8.0622
4.5981
7.1962
8.0622
8.9282
2.866
7.1962
3.732
8.9282
2
2.866
7.1962
2
8.0622
10.6603
2
5.4641
6.6592
8.5991
5.7932
8.5991
7.1962
6.6592
4.269
9.4651
1.4631
6.6592
2.866
8.0622
1.4631
10.9703
11.1972
1.69
1.4631
2.31
10.3503
-2.75
1.25
-2.75
-0.25
-1.25
-0.25
-1.25
-1.75
-1.75
-2.75
1.25
-1.25
0.25
-1.75
-3.25
-2.75
1.75
-1.75
1.75
-0.25
2.75
-1.25
0.25
2.75
-0.25
3.25
1.75
-3.25
-0.63
0.06
-1.44
-3.06
-3.06
-3.87
1.44
0.06
3.06
-1.56
3.06
0.87
3.87
0.06
1.2131
2.06
-2.7131
-3.56
-3.7869
2.2869
8
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8
9
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16
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16
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26
25
25
26
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.04.04
481
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.04.04
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.04.04
2
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.04.04
6
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.04.04
00000371E07B38000000000000000000000000000000000000003060C0000000000000015000001E00100000000C0C81980232C682C00400880225525000820800252200088801067CC80C6636C4B59B94316866F411C8E98798C8208E00000000000800200000000000100040000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.04.04
2-methoxy-N-[2-[(2-methoxybenzoyl)amino]phenyl]benzamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.04.04
2-methoxy-N-[2-[[(2-methoxyphenyl)-oxomethyl]amino]phenyl]benzamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.04.04
2-methoxy-N-[2-[(2-methoxybenzoyl)amino]phenyl]benzamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.04.04
2-methoxy-N-[2-[(2-methoxyphenyl)carbonylamino]phenyl]benzamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.04.04
2-methoxy-N-[2-(o-anisoylamino)phenyl]benzamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.04.04
InChI=1S/C22H20N2O4/c1-27-19-13-7-3-9-15(19)21(25)23-17-11-5-6-12-18(17)24-22(26)16-10-4-8-14-20(16)28-2/h3-14H,1-2H3,(H,23,25)(H,24,26)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.04.04
BUXZWHPUDAPMKC-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.04.04
3.5
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
376.142307
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
C22H20N2O4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
376.4052
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.04.04
COC1=CC=CC=C1C(=O)NC2=CC=CC=C2NC(=O)C3=CC=CC=C3OC
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.04.04
COC1=CC=CC=C1C(=O)NC2=CC=CC=C2NC(=O)C3=CC=CC=C3OC
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.04.04
76.7
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
376.142307
28
0
0
0
0
0
0
0
1
3