3-bromo-N-[3-[(2-chlorobenzoyl)amino]phenyl]-4-methoxybenzamide

C21H16BrClN2O3 — CID 1333423

IUPAC3-bromo-N-[3-[(2-chlorobenzoyl)amino]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3Cl)c2)cc1Br
InChIInChI=1S/C21H16BrClN2O3/c1-28-19-10-9-13(11-17(19)22)20(26)24-14-5-4-6-15(12-14)25-21(27)16-7-2-3-8-18(16)23/h2-12H,1H3,(H,24,26)(H,25,27)
InChIKeyIPYCCEWROIAUHH-UHFFFAOYSA-N
MW459.73 g/mol
LogP5.62
Rot. Bonds5

About 3-bromo-N-[3-[(2-chlorobenzoyl)amino]phenyl]-4-methoxybenzamide

3-bromo-N-[3-[(2-chlorobenzoyl)amino]phenyl]-4-methoxybenzamide (PubChem CID 1333423) has the molecular formula C21H16BrClN2O3 and a molecular weight of 459.73 g/mol. Its IUPAC name is 3-bromo-N-[3-[(2-chlorobenzoyl)amino]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[3-[(2-chlorobenzoyl)amino]phenyl]-4-methoxybenzamide
PubChem CID1333423
Molecular FormulaC21H16BrClN2O3
Molecular Weight459.73 g/mol
Exact Mass458.00
IUPAC Name3-bromo-N-[3-[(2-chlorobenzoyl)amino]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3Cl)c2)cc1Br
InChIInChI=1S/C21H16BrClN2O3/c1-28-19-10-9-13(11-17(19)22)20(26)24-14-5-4-6-15(12-14)25-21(27)16-7-2-3-8-18(16)23/h2-12H,1H3,(H,24,26)(H,25,27)
InChIKeyIPYCCEWROIAUHH-UHFFFAOYSA-N
XLogP5.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.73
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-methoxyphenyl)-3-chloro-4-methoxybenzamide
CID 3529705
3-bromo-4-methoxy-N-[3-(methoxymethyl)phenyl]benzamide
CID 32638662
N-(3-benzamidophenyl)-3-bromo-4-(2-methoxyethoxy)benzamide
CID 17234914
methyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate
CID 1226570
3-bromo-N-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]-4-methoxybenzamide
CID 43878101
3-bromo-4-methoxy-N-[3-(2-methoxyethylcarbamoyl)phenyl]benzamide
CID 17218947
2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid
CID 43241988
N-[3-(azepane-1-carbonyl)phenyl]-3-bromo-4-methoxybenzamide
CID 26159299
3-bromo-N-(3-chloro-4-piperidin-1-ylphenyl)-4-methoxybenzamide
CID 3922164
N-(3-amino-4-methoxyphenyl)-2-chlorobenzamide
CID 23464385
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
CID 115661540
3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 3493450

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-[(2-chlorobenzoyl)amino]phenyl]-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-[3-[(2-chlorobenzoyl)amino]phenyl]-4-methoxybenzamide (CID 1333423) is 3-bromo-N-[3-[(2-chlorobenzoyl)amino]phenyl]-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-[3-[(2-chlorobenzoyl)amino]phenyl]-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-[3-[(2-chlorobenzoyl)amino]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3Cl)c2)cc1Br.
What is the InChIKey of 3-bromo-N-[3-[(2-chlorobenzoyl)amino]phenyl]-4-methoxybenzamide?
The InChIKey is IPYCCEWROIAUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrClN2O3/c1-28-19-10-9-13(11-17(19)22)20(26)24-14-5-4-6-15(12-14)25-21(27)16-7-2-3-8-18(16)23/h2-12H,1H3,(H,24,26)(H,25,27).
What are the key properties of 3-bromo-N-[3-[(2-chlorobenzoyl)amino]phenyl]-4-methoxybenzamide?
3-bromo-N-[3-[(2-chlorobenzoyl)amino]phenyl]-4-methoxybenzamide has a molecular weight of 459.73 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-[(2-chlorobenzoyl)amino]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 1333423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).