3-bromo-N-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide

C20H14BrN3O4 — CID 3455243

IUPAC3-bromo-N-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide
SMILESO=C(Nc1ccc(NC(=O)c2cccc(Br)c2)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H14BrN3O4/c21-15-3-1-2-14(12-15)20(26)23-17-8-6-16(7-9-17)22-19(25)13-4-10-18(11-5-13)24(27)28/h1-12H,(H,22,25)(H,23,26)
InChIKeyFHNGDLTXBZQWPV-UHFFFAOYSA-N
MW440.25 g/mol
LogP4.86
Rot. Bonds5

About 3-bromo-N-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide

3-bromo-N-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide (PubChem CID 3455243) has the molecular formula C20H14BrN3O4 and a molecular weight of 440.25 g/mol. Its IUPAC name is 3-bromo-N-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide
PubChem CID3455243
Molecular FormulaC20H14BrN3O4
Molecular Weight440.25 g/mol
Exact Mass439.02
IUPAC Name3-bromo-N-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide
SMILESO=C(Nc1ccc(NC(=O)c2cccc(Br)c2)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H14BrN3O4/c21-15-3-1-2-14(12-15)20(26)23-17-8-6-16(7-9-17)22-19(25)13-4-10-18(11-5-13)24(27)28/h1-12H,(H,22,25)(H,23,26)
InChIKeyFHNGDLTXBZQWPV-UHFFFAOYSA-N
XLogP4.86
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.25
LogP ≤ 54.86
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-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide
CID 26158826
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
3-acetamido-N-(4-nitrophenyl)benzamide
CID 127116027
4-[(3-bromobenzoyl)amino]benzoate
CID 6943789
3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 2844876
3-bromo-N-[3-[(3-bromobenzoyl)amino]-4-nitrophenyl]benzamide
CID 3611038
methyl 3-[(4-nitrophenyl)carbamoyl]benzoate
CID 17175216
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide
CID 126229161
3-methyl-N-[4-(4-nitrophenyl)phenyl]benzamide
CID 122714277
3-[(3-bromobenzoyl)amino]-N-(4-fluoro-3-nitrophenyl)benzamide
CID 112832453
3-bromo-N-[(E)-1-(4-nitrophenyl)ethylideneamino]benzamide
CID 7183815
3-bromo-N-(4-ethyl-3-nitrophenyl)benzamide
CID 34655216

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide?
The IUPAC name of 3-bromo-N-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide (CID 3455243) is 3-bromo-N-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide is O=C(Nc1ccc(NC(=O)c2cccc(Br)c2)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-bromo-N-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide?
The InChIKey is FHNGDLTXBZQWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3O4/c21-15-3-1-2-14(12-15)20(26)23-17-8-6-16(7-9-17)22-19(25)13-4-10-18(11-5-13)24(27)28/h1-12H,(H,22,25)(H,23,26).
What are the key properties of 3-bromo-N-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide?
3-bromo-N-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide has a molecular weight of 440.25 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide is sourced from PubChem (CID 3455243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).