5-bromo-N-[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]-2-methoxybenzamide

C23H21BrN2O3 — CID 17094295

IUPAC5-bromo-N-[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C23H21BrN2O3/c1-14-8-10-17(12-15(14)2)25-22(27)18-6-4-5-7-20(18)26-23(28)19-13-16(24)9-11-21(19)29-3/h4-13H,1-3H3,(H,25,27)(H,26,28)
InChIKeyVHUTZYBSJIDOSQ-UHFFFAOYSA-N
MW453.34 g/mol
LogP5.58
Rot. Bonds5

About 5-bromo-N-[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]-2-methoxybenzamide

5-bromo-N-[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]-2-methoxybenzamide (PubChem CID 17094295) has the molecular formula C23H21BrN2O3 and a molecular weight of 453.34 g/mol. Its IUPAC name is 5-bromo-N-[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]-2-methoxybenzamide
PubChem CID17094295
Molecular FormulaC23H21BrN2O3
Molecular Weight453.34 g/mol
Exact Mass452.07
IUPAC Name5-bromo-N-[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C23H21BrN2O3/c1-14-8-10-17(12-15(14)2)25-22(27)18-6-4-5-7-20(18)26-23(28)19-13-16(24)9-11-21(19)29-3/h4-13H,1-3H3,(H,25,27)(H,26,28)
InChIKeyVHUTZYBSJIDOSQ-UHFFFAOYSA-N
XLogP5.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.34
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide
CID 17050838
5-[(5-bromo-2-methoxybenzoyl)amino]-2-methylbenzoic acid
CID 17296186
ethyl 2-[(5-bromo-2-methoxybenzoyl)amino]benzoate
CID 110428281
1-N,4-N-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
CID 4945134
5-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 1121307
2-hydrazinyl-N-(4-methoxy-3-methylphenyl)benzamide
CID 62236085
N-(3,4-dimethylphenyl)-2-[[2-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 17355422
5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 17094210
methyl 3-[2-[(3,4-dimethylphenyl)carbamoyl]anilino]-3-oxopropanoate
CID 28637999
2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3,4-dimethylphenyl)benzamide
CID 4944441
N-(3,4-dimethoxyphenyl)-2-[(4-methylbenzoyl)amino]benzamide
CID 110602599
5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide
CID 17296371

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]-2-methoxybenzamide?
The IUPAC name of 5-bromo-N-[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]-2-methoxybenzamide (CID 17094295) is 5-bromo-N-[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]-2-methoxybenzamide.
What is the SMILES notation for 5-bromo-N-[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]-2-methoxybenzamide?
The canonical SMILES for 5-bromo-N-[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]-2-methoxybenzamide is COc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of 5-bromo-N-[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]-2-methoxybenzamide?
The InChIKey is VHUTZYBSJIDOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O3/c1-14-8-10-17(12-15(14)2)25-22(27)18-6-4-5-7-20(18)26-23(28)19-13-16(24)9-11-21(19)29-3/h4-13H,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 5-bromo-N-[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]-2-methoxybenzamide?
5-bromo-N-[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]-2-methoxybenzamide has a molecular weight of 453.34 g/mol, XLogP of 5.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 17094295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).