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113459-98-6 | Benzamide, N-(cyclohexyloxy)-4-nitro-N-[(phenylamino)carbonyl]-
CAS No: 113459-98-6 Catalog No: AG0008OB MDL No:
Product Description
Catalog Number:
AG0008OB
Chemical Name:
Benzamide, N-(cyclohexyloxy)-4-nitro-N-[(phenylamino)carbonyl]-
CAS Number:
113459-98-6
Molecular Formula:
C20H21N3O5
Molecular Weight:
383.3978
IUPAC Name:
N-cyclohexyloxy-4-nitro-N-(phenylcarbamoyl)benzamide
InChI:
InChI=1S/C20H21N3O5/c24-19(15-11-13-17(14-12-15)23(26)27)22(28-18-9-5-2-6-10-18)20(25)21-16-7-3-1-4-8-16/h1,3-4,7-8,11-14,18H,2,5-6,9-10H2,(H,21,25)
InChI Key:
VXPZEAXCFDTHPN-UHFFFAOYSA-N
SMILES:
O=C(N(C(=O)Nc1ccccc1)OC1CCCCC1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.148g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
383.404g/mol
Monoisotopic Mass:
383.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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