3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide

C28H22Br2N2O2 — CID 4586964

IUPAC3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
SMILESCc1cc(-c2ccc(NC(=O)c3cccc(Br)c3)c(C)c2)ccc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C28H22Br2N2O2/c1-17-13-19(9-11-25(17)31-27(33)21-5-3-7-23(29)15-21)20-10-12-26(18(2)14-20)32-28(34)22-6-4-8-24(30)16-22/h3-16H,1-2H3,(H,31,33)(H,32,34)
InChIKeyOWKWITQKGOXYDC-UHFFFAOYSA-N
MW578.30 g/mol
LogP8.00
Rot. Bonds5

About 3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide

3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide (PubChem CID 4586964) has the molecular formula C28H22Br2N2O2 and a molecular weight of 578.30 g/mol. Its IUPAC name is 3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
PubChem CID4586964
Molecular FormulaC28H22Br2N2O2
Molecular Weight578.30 g/mol
Exact Mass576.00
IUPAC Name3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
SMILESCc1cc(-c2ccc(NC(=O)c3cccc(Br)c3)c(C)c2)ccc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C28H22Br2N2O2/c1-17-13-19(9-11-25(17)31-27(33)21-5-3-7-23(29)15-21)20-10-12-26(18(2)14-20)32-28(34)22-6-4-8-24(30)16-22/h3-16H,1-2H3,(H,31,33)(H,32,34)
InChIKeyOWKWITQKGOXYDC-UHFFFAOYSA-N
XLogP8.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.30
LogP ≤ 58.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 4030037
N-[4-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-bromobenzamide
CID 1048662
3-bromo-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 110867241
N-(4-bromo-2-methylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 46523398
3-bromo-N-(3-hydroxy-2-methylphenyl)benzamide
CID 64793442
N-[4-[(3-bromobenzoyl)amino]-2-methylphenyl]-3-methylsulfonylbenzamide
CID 46542213
N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzamide
CID 104814581
N-(4-bromo-2-methylphenyl)-3-cyanobenzamide
CID 18777750
N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methylphenyl]-2-methylphenyl]-3,5-dimethylbenzamide
CID 3343453
3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide
CID 26538678
N-(4-bromo-2-methylphenyl)-3-propoxybenzamide
CID 2293914
N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide
CID 789005

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide?
The IUPAC name of 3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide (CID 4586964) is 3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide?
The canonical SMILES for 3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide is Cc1cc(-c2ccc(NC(=O)c3cccc(Br)c3)c(C)c2)ccc1NC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide?
The InChIKey is OWKWITQKGOXYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22Br2N2O2/c1-17-13-19(9-11-25(17)31-27(33)21-5-3-7-23(29)15-21)20-10-12-26(18(2)14-20)32-28(34)22-6-4-8-24(30)16-22/h3-16H,1-2H3,(H,31,33)(H,32,34).
What are the key properties of 3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide?
3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide has a molecular weight of 578.30 g/mol, XLogP of 8.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide is sourced from PubChem (CID 4586964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).