3-bromo-4-methyl-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide

C23H21BrN2O2 — CID 4935158

IUPAC3-bromo-4-methyl-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)cc1Br
InChIInChI=1S/C23H21BrN2O2/c1-15-12-13-18(14-20(15)24)22(27)26-21-11-7-6-10-19(21)23(28)25-16(2)17-8-4-3-5-9-17/h3-14,16H,1-2H3,(H,25,28)(H,26,27)
InChIKeyWPORRCXXKXWBCM-UHFFFAOYSA-N
MW437.34 g/mol
LogP5.50
Rot. Bonds5

About 3-bromo-4-methyl-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide

3-bromo-4-methyl-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide (PubChem CID 4935158) has the molecular formula C23H21BrN2O2 and a molecular weight of 437.34 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-methyl-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
PubChem CID4935158
Molecular FormulaC23H21BrN2O2
Molecular Weight437.34 g/mol
Exact Mass436.08
IUPAC Name3-bromo-4-methyl-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)cc1Br
InChIInChI=1S/C23H21BrN2O2/c1-15-12-13-18(14-20(15)24)22(27)26-21-11-7-6-10-19(21)23(28)25-16(2)17-8-4-3-5-9-17/h3-14,16H,1-2H3,(H,25,28)(H,26,27)
InChIKeyWPORRCXXKXWBCM-UHFFFAOYSA-N
XLogP5.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.34
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 2943396
2-[(3-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 54790772
2-[(2-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 4935078
2-[(3-iodobenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 98112407
2,4-dimethyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]benzamide
CID 26242918
2-[(3-cyanobenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide
CID 7758774
3,5-dinitro-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 4935085
3-bromo-N-[2-(1-bromoethyl)phenyl]-4-methylbenzamide
CID 114315561
3-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 81472688
2-[(3-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 17149781
2-[(4-butoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 8714570
2-[(4-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 17141286

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-bromo-4-methyl-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide (CID 4935158) is 3-bromo-4-methyl-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-4-methyl-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-bromo-4-methyl-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)cc1Br.
What is the InChIKey of 3-bromo-4-methyl-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide?
The InChIKey is WPORRCXXKXWBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O2/c1-15-12-13-18(14-20(15)24)22(27)26-21-11-7-6-10-19(21)23(28)25-16(2)17-8-4-3-5-9-17/h3-14,16H,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 3-bromo-4-methyl-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide?
3-bromo-4-methyl-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide has a molecular weight of 437.34 g/mol, XLogP of 5.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 4935158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).