2-[(4-bromobenzoyl)-[(4-bromophenyl)methyl]amino]-N-(2,4-dimethylphenyl)benzamide

C29H24Br2N2O2 — CID 3550753

IUPAC2-[(4-bromobenzoyl)-[(4-bromophenyl)methyl]amino]-N-(2,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2N(Cc2ccc(Br)cc2)C(=O)c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C29H24Br2N2O2/c1-19-7-16-26(20(2)17-19)32-28(34)25-5-3-4-6-27(25)33(18-21-8-12-23(30)13-9-21)29(35)22-10-14-24(31)15-11-22/h3-17H,18H2,1-2H3,(H,32,34)
InChIKeyVGQAOCICXKGQEI-UHFFFAOYSA-N
MW592.33 g/mol
LogP7.93
Rot. Bonds6

About 2-[(4-bromobenzoyl)-[(4-bromophenyl)methyl]amino]-N-(2,4-dimethylphenyl)benzamide

2-[(4-bromobenzoyl)-[(4-bromophenyl)methyl]amino]-N-(2,4-dimethylphenyl)benzamide (PubChem CID 3550753) has the molecular formula C29H24Br2N2O2 and a molecular weight of 592.33 g/mol. Its IUPAC name is 2-[(4-bromobenzoyl)-[(4-bromophenyl)methyl]amino]-N-(2,4-dimethylphenyl)benzamide.

Molecular Properties

Compound Name2-[(4-bromobenzoyl)-[(4-bromophenyl)methyl]amino]-N-(2,4-dimethylphenyl)benzamide
PubChem CID3550753
Molecular FormulaC29H24Br2N2O2
Molecular Weight592.33 g/mol
Exact Mass590.02
IUPAC Name2-[(4-bromobenzoyl)-[(4-bromophenyl)methyl]amino]-N-(2,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2N(Cc2ccc(Br)cc2)C(=O)c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C29H24Br2N2O2/c1-19-7-16-26(20(2)17-19)32-28(34)25-5-3-4-6-27(25)33(18-21-8-12-23(30)13-9-21)29(35)22-10-14-24(31)15-11-22/h3-17H,18H2,1-2H3,(H,32,34)
InChIKeyVGQAOCICXKGQEI-UHFFFAOYSA-N
XLogP7.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.33
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-[[2-[(4-bromobenzoyl)-[(4-bromophenyl)methyl]amino]benzoyl]amino]benzamide
CID 4022125
N-(4-bromo-2-methylphenyl)-2,4-dimethylbenzamide
CID 953255
2-(4-bromophenyl)-N-(2,4-dimethylphenyl)acetamide
CID 2600129
2-amino-N-(2,4-dimethylphenyl)benzamide;hydrochloride
CID 170900117
N-(4-bromo-2-methylphenyl)-2-sulfanylbenzamide
CID 113220443
N-[(4-bromophenyl)methyl]-N,2,4-trimethylbenzamide
CID 60628421
2-benzoyl-N-(2,4-dimethylphenyl)benzamide
CID 16624399
N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 579639
2-[(4-bromophenyl)methyl-(2,2,2-trichloroacetyl)amino]-N-phenylbenzamide
CID 5181300
N'-benzyl-N-(2,4-dimethylphenyl)-N'-phenyloxamide
CID 108515457
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
3-benzamido-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzamide
CID 55630306

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromobenzoyl)-[(4-bromophenyl)methyl]amino]-N-(2,4-dimethylphenyl)benzamide?
The IUPAC name of 2-[(4-bromobenzoyl)-[(4-bromophenyl)methyl]amino]-N-(2,4-dimethylphenyl)benzamide (CID 3550753) is 2-[(4-bromobenzoyl)-[(4-bromophenyl)methyl]amino]-N-(2,4-dimethylphenyl)benzamide.
What is the SMILES notation for 2-[(4-bromobenzoyl)-[(4-bromophenyl)methyl]amino]-N-(2,4-dimethylphenyl)benzamide?
The canonical SMILES for 2-[(4-bromobenzoyl)-[(4-bromophenyl)methyl]amino]-N-(2,4-dimethylphenyl)benzamide is Cc1ccc(NC(=O)c2ccccc2N(Cc2ccc(Br)cc2)C(=O)c2ccc(Br)cc2)c(C)c1.
What is the InChIKey of 2-[(4-bromobenzoyl)-[(4-bromophenyl)methyl]amino]-N-(2,4-dimethylphenyl)benzamide?
The InChIKey is VGQAOCICXKGQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24Br2N2O2/c1-19-7-16-26(20(2)17-19)32-28(34)25-5-3-4-6-27(25)33(18-21-8-12-23(30)13-9-21)29(35)22-10-14-24(31)15-11-22/h3-17H,18H2,1-2H3,(H,32,34).
What are the key properties of 2-[(4-bromobenzoyl)-[(4-bromophenyl)methyl]amino]-N-(2,4-dimethylphenyl)benzamide?
2-[(4-bromobenzoyl)-[(4-bromophenyl)methyl]amino]-N-(2,4-dimethylphenyl)benzamide has a molecular weight of 592.33 g/mol, XLogP of 7.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromobenzoyl)-[(4-bromophenyl)methyl]amino]-N-(2,4-dimethylphenyl)benzamide is sourced from PubChem (CID 3550753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).