2-[(2-bromobenzoyl)amino]-N-(4-carbamoylphenyl)benzamide

C21H16BrN3O3 — CID 78791778

IUPAC2-[(2-bromobenzoyl)amino]-N-(4-carbamoylphenyl)benzamide
SMILESNC(=O)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C21H16BrN3O3/c22-17-7-3-1-5-15(17)20(27)25-18-8-4-2-6-16(18)21(28)24-14-11-9-13(10-12-14)19(23)26/h1-12H,(H2,23,26)(H,24,28)(H,25,27)
InChIKeyXVUCUKUOOMMPJO-UHFFFAOYSA-N
MW438.28 g/mol
LogP4.05
Rot. Bonds5

About 2-[(2-bromobenzoyl)amino]-N-(4-carbamoylphenyl)benzamide

2-[(2-bromobenzoyl)amino]-N-(4-carbamoylphenyl)benzamide (PubChem CID 78791778) has the molecular formula C21H16BrN3O3 and a molecular weight of 438.28 g/mol. Its IUPAC name is 2-[(2-bromobenzoyl)amino]-N-(4-carbamoylphenyl)benzamide.

Molecular Properties

Compound Name2-[(2-bromobenzoyl)amino]-N-(4-carbamoylphenyl)benzamide
PubChem CID78791778
Molecular FormulaC21H16BrN3O3
Molecular Weight438.28 g/mol
Exact Mass437.04
IUPAC Name2-[(2-bromobenzoyl)amino]-N-(4-carbamoylphenyl)benzamide
SMILESNC(=O)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C21H16BrN3O3/c22-17-7-3-1-5-15(17)20(27)25-18-8-4-2-6-16(18)21(28)24-14-11-9-13(10-12-14)19(23)26/h1-12H,(H2,23,26)(H,24,28)(H,25,27)
InChIKeyXVUCUKUOOMMPJO-UHFFFAOYSA-N
XLogP4.05
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.28
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-bromobenzoyl)amino]-N-(4-bromophenyl)benzamide
CID 55358520
2-bromo-N-(4-carbamothioylphenyl)benzamide
CID 24690668
2-[(2-bromobenzoyl)amino]-N-[4-(dimethylamino)phenyl]benzamide
CID 78791161
2-[(2-bromobenzoyl)amino]-N-(4-ethylphenyl)benzamide
CID 1313742
2-bromo-N-[4-[(2-chlorophenyl)carbamoyl]phenyl]benzamide
CID 23848830
2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide
CID 71601154
4-N-(2-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 71944310
2-bromo-N-(4-carbamoylphenyl)pyridine-3-carboxamide
CID 103751776
2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide
CID 103763181
4-benzamido-N-(2-bromophenyl)benzamide
CID 17153303
2-[(4-methylbenzoyl)amino]-N-phenylbenzamide
CID 913419
2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 1008649

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromobenzoyl)amino]-N-(4-carbamoylphenyl)benzamide?
The IUPAC name of 2-[(2-bromobenzoyl)amino]-N-(4-carbamoylphenyl)benzamide (CID 78791778) is 2-[(2-bromobenzoyl)amino]-N-(4-carbamoylphenyl)benzamide.
What is the SMILES notation for 2-[(2-bromobenzoyl)amino]-N-(4-carbamoylphenyl)benzamide?
The canonical SMILES for 2-[(2-bromobenzoyl)amino]-N-(4-carbamoylphenyl)benzamide is NC(=O)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-[(2-bromobenzoyl)amino]-N-(4-carbamoylphenyl)benzamide?
The InChIKey is XVUCUKUOOMMPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrN3O3/c22-17-7-3-1-5-15(17)20(27)25-18-8-4-2-6-16(18)21(28)24-14-11-9-13(10-12-14)19(23)26/h1-12H,(H2,23,26)(H,24,28)(H,25,27).
What are the key properties of 2-[(2-bromobenzoyl)amino]-N-(4-carbamoylphenyl)benzamide?
2-[(2-bromobenzoyl)amino]-N-(4-carbamoylphenyl)benzamide has a molecular weight of 438.28 g/mol, XLogP of 4.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromobenzoyl)amino]-N-(4-carbamoylphenyl)benzamide is sourced from PubChem (CID 78791778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).