3550978
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6
-1
7
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19
3
1
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255
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3.732
3.732
8.0622
3.732
7.1962
5.4641
5.4641
6.3301
6.3301
2.866
3.732
7.1962
2.866
8.0622
3.732
4.5981
4.5981
4.5981
7.1962
2
8.9282
8.0622
4.5981
9.7942
8.9282
9.7942
6.1181
5.7196
2.3291
6.6592
5.135
4.8101
5.2087
5.135
6.8862
7.7331
7.5062
1.69
1.4631
2.31
8.9282
7.5252
6.001
10.3312
8.9282
10.3312
-6
-2
2.5
0
4
1
0
2.5
1.5
-4.5
-3
3
-3.5
4.5
-5
-3.5
-1.5
-4.5
1
-5
4
5.5
-0.5
4.5
6
5.5
3.0826
2.3923
-3.19
4.31
-3.19
-2.0826
-1.3923
-4.81
0.4631
0.69
1.5369
-4.4631
-5.31
-5.5369
3.38
5.81
-0.31
4.19
6.62
5.81
1
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26
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
506
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
7
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07B3000001000000000000000000000000000000000306000000000000000014000001E0058000001AC0CA1980232C682E20400A803257250029208002122041A8801766CA80E2632C4B19F873828E4DC11C8EA1790C0100E00100100000080000020020000010000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-[[2-(4-bromo-3-methyl-phenoxy)acetyl]hydrazono]-N-phenyl-butanamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-[[2-(4-bromo-3-methylphenoxy)-1-oxoethyl]hydrazinylidene]-N-phenylbutanamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-[[2-(4-bromo-3-methylphenoxy)acetyl]hydrazinylidene]-N-phenylbutanamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-[2-(4-bromanyl-3-methyl-phenoxy)ethanoylhydrazinylidene]-N-phenyl-butanamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-[[2-(4-bromo-3-methyl-phenoxy)acetyl]hydrazono]-N-phenyl-butyramide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C19H20BrN3O3/c1-13-10-16(8-9-17(13)20)26-12-19(25)23-22-14(2)11-18(24)21-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,21,24)(H,23,25)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
HFAKQNIIMBGXGL-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
3.5
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
417.068804
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C19H20BrN3O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
418.2844
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=C(C=CC(=C1)OCC(=O)NN=C(C)CC(=O)NC2=CC=CC=C2)Br
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=C(C=CC(=C1)OCC(=O)NN=C(C)CC(=O)NC2=CC=CC=C2)Br
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
79.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
417.068804
26
0
0
0
1
0
1
0
1
10