N-(4-bromophenyl)-5-chloro-2-[(3-nitrobenzoyl)amino]benzamide

C20H13BrClN3O4 — CID 1313410

IUPACN-(4-bromophenyl)-5-chloro-2-[(3-nitrobenzoyl)amino]benzamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H13BrClN3O4/c21-13-4-7-15(8-5-13)23-20(27)17-11-14(22)6-9-18(17)24-19(26)12-2-1-3-16(10-12)25(28)29/h1-11H,(H,23,27)(H,24,26)
InChIKeyGOODNYABONARAX-UHFFFAOYSA-N
MW474.70 g/mol
LogP5.52
Rot. Bonds5

About N-(4-bromophenyl)-5-chloro-2-[(3-nitrobenzoyl)amino]benzamide

N-(4-bromophenyl)-5-chloro-2-[(3-nitrobenzoyl)amino]benzamide (PubChem CID 1313410) has the molecular formula C20H13BrClN3O4 and a molecular weight of 474.70 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-chloro-2-[(3-nitrobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-chloro-2-[(3-nitrobenzoyl)amino]benzamide
PubChem CID1313410
Molecular FormulaC20H13BrClN3O4
Molecular Weight474.70 g/mol
Exact Mass472.98
IUPAC NameN-(4-bromophenyl)-5-chloro-2-[(3-nitrobenzoyl)amino]benzamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H13BrClN3O4/c21-13-4-7-15(8-5-13)23-20(27)17-11-14(22)6-9-18(17)24-19(26)12-2-1-3-16(10-12)25(28)29/h1-11H,(H,23,27)(H,24,26)
InChIKeyGOODNYABONARAX-UHFFFAOYSA-N
XLogP5.52
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.70
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-5-chlorophenyl)-3-nitrobenzamide
CID 81272714
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzamide
CID 1313581
5-chloro-2-(methylamino)-N-(3-nitrophenyl)benzamide
CID 62166987
2-[(3-nitrobenzoyl)amino]-N-pyridin-4-ylbenzamide
CID 1313628
methyl 4-chloro-2-[(3-nitrobenzoyl)amino]benzoate
CID 17409028
N-[4-(2,4-dichlorophenoxy)phenyl]-3-nitrobenzamide
CID 1321722
N-(3-benzamido-4-chlorophenyl)-3-nitrobenzamide
CID 4620848
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
4-[(2-benzamido-5-chlorobenzoyl)amino]benzoic acid
CID 22672074
4-[(3-nitrobenzoyl)amino]benzenesulfonyl chloride
CID 13315406
N-(3,4-dimethylphenyl)-2-[(3-nitrobenzoyl)amino]benzamide
CID 4944387
5-bromo-2-fluoro-N'-(3-nitrobenzoyl)benzohydrazide
CID 9333738

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-chloro-2-[(3-nitrobenzoyl)amino]benzamide?
The IUPAC name of N-(4-bromophenyl)-5-chloro-2-[(3-nitrobenzoyl)amino]benzamide (CID 1313410) is N-(4-bromophenyl)-5-chloro-2-[(3-nitrobenzoyl)amino]benzamide.
What is the SMILES notation for N-(4-bromophenyl)-5-chloro-2-[(3-nitrobenzoyl)amino]benzamide?
The canonical SMILES for N-(4-bromophenyl)-5-chloro-2-[(3-nitrobenzoyl)amino]benzamide is O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(4-bromophenyl)-5-chloro-2-[(3-nitrobenzoyl)amino]benzamide?
The InChIKey is GOODNYABONARAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrClN3O4/c21-13-4-7-15(8-5-13)23-20(27)17-11-14(22)6-9-18(17)24-19(26)12-2-1-3-16(10-12)25(28)29/h1-11H,(H,23,27)(H,24,26).
What are the key properties of N-(4-bromophenyl)-5-chloro-2-[(3-nitrobenzoyl)amino]benzamide?
N-(4-bromophenyl)-5-chloro-2-[(3-nitrobenzoyl)amino]benzamide has a molecular weight of 474.70 g/mol, XLogP of 5.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-chloro-2-[(3-nitrobenzoyl)amino]benzamide is sourced from PubChem (CID 1313410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).