N-benzyl-2-(4-bromobenzoyl)-N-methylbenzamide

C22H18BrNO2 — CID 25465829

IUPACN-benzyl-2-(4-bromobenzoyl)-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccccc1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C22H18BrNO2/c1-24(15-16-7-3-2-4-8-16)22(26)20-10-6-5-9-19(20)21(25)17-11-13-18(23)14-12-17/h2-14H,15H2,1H3
InChIKeyKNJZUCZTQQXLMY-UHFFFAOYSA-N
MW408.30 g/mol
LogP4.95
Rot. Bonds5

About N-benzyl-2-(4-bromobenzoyl)-N-methylbenzamide

N-benzyl-2-(4-bromobenzoyl)-N-methylbenzamide (PubChem CID 25465829) has the molecular formula C22H18BrNO2 and a molecular weight of 408.30 g/mol. Its IUPAC name is N-benzyl-2-(4-bromobenzoyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-2-(4-bromobenzoyl)-N-methylbenzamide
PubChem CID25465829
Molecular FormulaC22H18BrNO2
Molecular Weight408.30 g/mol
Exact Mass407.05
IUPAC NameN-benzyl-2-(4-bromobenzoyl)-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccccc1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C22H18BrNO2/c1-24(15-16-7-3-2-4-8-16)22(26)20-10-6-5-9-19(20)21(25)17-11-13-18(23)14-12-17/h2-14H,15H2,1H3
InChIKeyKNJZUCZTQQXLMY-UHFFFAOYSA-N
XLogP4.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.30
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-bromo-N-methylbenzamide
CID 751372
2-(4-bromobenzoyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 36943976
2-benzamido-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 32892148
N-[(4-bromophenyl)methyl]-N-methyl-2-methylsulfanylbenzamide
CID 78906458
2-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 55555108
N-benzyl-2-bromo-N-methylpyridine-3-carboxamide
CID 103751706
(2-benzylphenyl)-(4-bromophenyl)methanone
CID 141365768
4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630849
2-(4-bromobenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 36835375
N-[(4-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 62176252
2-[methyl-[(4-methylphenyl)methyl]carbamoyl]benzoic acid
CID 28798661
N-[(4-bromophenyl)methyl]-N,2,4-trimethylbenzamide
CID 60628421

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-bromobenzoyl)-N-methylbenzamide?
The IUPAC name of N-benzyl-2-(4-bromobenzoyl)-N-methylbenzamide (CID 25465829) is N-benzyl-2-(4-bromobenzoyl)-N-methylbenzamide.
What is the SMILES notation for N-benzyl-2-(4-bromobenzoyl)-N-methylbenzamide?
The canonical SMILES for N-benzyl-2-(4-bromobenzoyl)-N-methylbenzamide is CN(Cc1ccccc1)C(=O)c1ccccc1C(=O)c1ccc(Br)cc1.
What is the InChIKey of N-benzyl-2-(4-bromobenzoyl)-N-methylbenzamide?
The InChIKey is KNJZUCZTQQXLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrNO2/c1-24(15-16-7-3-2-4-8-16)22(26)20-10-6-5-9-19(20)21(25)17-11-13-18(23)14-12-17/h2-14H,15H2,1H3.
What are the key properties of N-benzyl-2-(4-bromobenzoyl)-N-methylbenzamide?
N-benzyl-2-(4-bromobenzoyl)-N-methylbenzamide has a molecular weight of 408.30 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-bromobenzoyl)-N-methylbenzamide is sourced from PubChem (CID 25465829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).