3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide

C21H17BrN2O3 — CID 52644751

IUPAC3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C21H17BrN2O3/c1-27-19-11-3-2-10-18(19)24-21(26)15-7-5-9-17(13-15)23-20(25)14-6-4-8-16(22)12-14/h2-13H,1H3,(H,23,25)(H,24,26)
InChIKeyNWQGGPDZGZWDOX-UHFFFAOYSA-N
MW425.28 g/mol
LogP4.96
Rot. Bonds5

About 3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide

3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide (PubChem CID 52644751) has the molecular formula C21H17BrN2O3 and a molecular weight of 425.28 g/mol. Its IUPAC name is 3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
PubChem CID52644751
Molecular FormulaC21H17BrN2O3
Molecular Weight425.28 g/mol
Exact Mass424.04
IUPAC Name3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C21H17BrN2O3/c1-27-19-11-3-2-10-18(19)24-21(26)15-7-5-9-17(13-15)23-20(25)14-6-4-8-16(22)12-14/h2-13H,1H3,(H,23,25)(H,24,26)
InChIKeyNWQGGPDZGZWDOX-UHFFFAOYSA-N
XLogP4.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.28
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-anilino-N-(2-methoxyphenyl)benzamide
CID 3501279
ethyl N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]carbamate
CID 17415342
3-bromo-N-[(2-methoxyphenyl)carbamothioyl]benzamide
CID 1018499
N-(3-acetamido-4-methoxyphenyl)-3-bromobenzamide
CID 35346015
N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 34636649
3-bromo-N-[6-(2-methoxyanilino)-3-pyridinyl]benzamide
CID 113019293
3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 4030037
3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 79421204
2-(3-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269426
1-N-(3,4-difluorophenyl)-3-N-(2-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057618
N-(5-amino-2-methoxyphenyl)-3-bromobenzamide
CID 24699431
2-[[3-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid
CID 17341336

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide (CID 52644751) is 3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1.
What is the InChIKey of 3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide?
The InChIKey is NWQGGPDZGZWDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2O3/c1-27-19-11-3-2-10-18(19)24-21(26)15-7-5-9-17(13-15)23-20(25)14-6-4-8-16(22)12-14/h2-13H,1H3,(H,23,25)(H,24,26).
What are the key properties of 3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide?
3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide has a molecular weight of 425.28 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 52644751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).