N-[3-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-methylbenzamide

C23H21BrN2O2 — CID 26162821

IUPACN-[3-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)N(C)Cc3ccccc3)c2)cc1Br
InChIInChI=1S/C23H21BrN2O2/c1-16-11-12-18(14-21(16)24)22(27)25-20-10-6-9-19(13-20)23(28)26(2)15-17-7-4-3-5-8-17/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyMVAWCIGDJCGCQB-UHFFFAOYSA-N
MW437.34 g/mol
LogP5.28
Rot. Bonds5

About N-[3-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-methylbenzamide

N-[3-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-methylbenzamide (PubChem CID 26162821) has the molecular formula C23H21BrN2O2 and a molecular weight of 437.34 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-methylbenzamide
PubChem CID26162821
Molecular FormulaC23H21BrN2O2
Molecular Weight437.34 g/mol
Exact Mass436.08
IUPAC NameN-[3-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)N(C)Cc3ccccc3)c2)cc1Br
InChIInChI=1S/C23H21BrN2O2/c1-16-11-12-18(14-21(16)24)22(27)25-20-10-6-9-19(13-20)23(28)26(2)15-17-7-4-3-5-8-17/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyMVAWCIGDJCGCQB-UHFFFAOYSA-N
XLogP5.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.34
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzamido-N-benzyl-N-methylbenzamide
CID 3936845
3-N-benzyl-3-N-methyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109054531
N-[3-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-hexoxybenzamide
CID 26162981
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
CID 54842144
N-[3-[benzyl(methyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 26162903
3-[(4-fluorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 46474380
3-N-benzyl-1-N-(4-chlorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054551
3-N-benzyl-1-N-(4-fluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054548
3-benzamido-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzamide
CID 55630306
3-bromo-N-[(4-ethylphenyl)methyl]-N,4-dimethylbenzamide
CID 81458308
N-benzyl-3-[[2-(tert-butylamino)acetyl]amino]-N-methylbenzamide
CID 54813861
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-methylbenzamide?
The IUPAC name of N-[3-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-methylbenzamide (CID 26162821) is N-[3-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-methylbenzamide.
What is the SMILES notation for N-[3-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-methylbenzamide?
The canonical SMILES for N-[3-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(C(=O)N(C)Cc3ccccc3)c2)cc1Br.
What is the InChIKey of N-[3-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-methylbenzamide?
The InChIKey is MVAWCIGDJCGCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O2/c1-16-11-12-18(14-21(16)24)22(27)25-20-10-6-9-19(13-20)23(28)26(2)15-17-7-4-3-5-8-17/h3-14H,15H2,1-2H3,(H,25,27).
What are the key properties of N-[3-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-methylbenzamide?
N-[3-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-methylbenzamide has a molecular weight of 437.34 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-methylbenzamide is sourced from PubChem (CID 26162821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).