2-[(2-bromobenzoyl)amino]-N-[(4-chlorophenyl)methyl]-N-methylbenzamide

C22H18BrClN2O2 — CID 55358384

IUPAC2-[(2-bromobenzoyl)amino]-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1ccccc1NC(=O)c1ccccc1Br
InChIInChI=1S/C22H18BrClN2O2/c1-26(14-15-10-12-16(24)13-11-15)22(28)18-7-3-5-9-20(18)25-21(27)17-6-2-4-8-19(17)23/h2-13H,14H2,1H3,(H,25,27)
InChIKeyKDPMLLOLYNLOMS-UHFFFAOYSA-N
MW457.76 g/mol
LogP5.63
Rot. Bonds5

About 2-[(2-bromobenzoyl)amino]-N-[(4-chlorophenyl)methyl]-N-methylbenzamide

2-[(2-bromobenzoyl)amino]-N-[(4-chlorophenyl)methyl]-N-methylbenzamide (PubChem CID 55358384) has the molecular formula C22H18BrClN2O2 and a molecular weight of 457.76 g/mol. Its IUPAC name is 2-[(2-bromobenzoyl)amino]-N-[(4-chlorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-[(2-bromobenzoyl)amino]-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
PubChem CID55358384
Molecular FormulaC22H18BrClN2O2
Molecular Weight457.76 g/mol
Exact Mass456.02
IUPAC Name2-[(2-bromobenzoyl)amino]-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1ccccc1NC(=O)c1ccccc1Br
InChIInChI=1S/C22H18BrClN2O2/c1-26(14-15-10-12-16(24)13-11-15)22(28)18-7-3-5-9-20(18)25-21(27)17-6-2-4-8-19(17)23/h2-13H,14H2,1H3,(H,25,27)
InChIKeyKDPMLLOLYNLOMS-UHFFFAOYSA-N
XLogP5.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.76
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzamido-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 32892148
N-benzyl-2-[(4-chlorobenzoyl)carbamothioylamino]-N-methylbenzamide
CID 4937543
2-[(2-bromobenzoyl)amino]-N-(2-cyanoethyl)-N-methylbenzamide
CID 78798076
N-[2-[benzyl(methyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 30337138
N-[(4-chlorophenyl)methyl]-N,2-dimethylbenzamide
CID 43908097
2-[(4-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399775
2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 28799501
N-benzyl-2-[(4-tert-butylbenzoyl)amino]-N-methylbenzamide
CID 4937393
2-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 38743723
2-[(2-bromobenzoyl)amino]-N-(4-ethylphenyl)benzamide
CID 1313742
N-benzyl-N-methyl-2-(2-methylpropanoylamino)benzamide
CID 30336748
N-[2-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-propan-2-yloxybenzamide
CID 17355287

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromobenzoyl)amino]-N-[(4-chlorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 2-[(2-bromobenzoyl)amino]-N-[(4-chlorophenyl)methyl]-N-methylbenzamide (CID 55358384) is 2-[(2-bromobenzoyl)amino]-N-[(4-chlorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2-[(2-bromobenzoyl)amino]-N-[(4-chlorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 2-[(2-bromobenzoyl)amino]-N-[(4-chlorophenyl)methyl]-N-methylbenzamide is CN(Cc1ccc(Cl)cc1)C(=O)c1ccccc1NC(=O)c1ccccc1Br.
What is the InChIKey of 2-[(2-bromobenzoyl)amino]-N-[(4-chlorophenyl)methyl]-N-methylbenzamide?
The InChIKey is KDPMLLOLYNLOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrClN2O2/c1-26(14-15-10-12-16(24)13-11-15)22(28)18-7-3-5-9-20(18)25-21(27)17-6-2-4-8-19(17)23/h2-13H,14H2,1H3,(H,25,27).
What are the key properties of 2-[(2-bromobenzoyl)amino]-N-[(4-chlorophenyl)methyl]-N-methylbenzamide?
2-[(2-bromobenzoyl)amino]-N-[(4-chlorophenyl)methyl]-N-methylbenzamide has a molecular weight of 457.76 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromobenzoyl)amino]-N-[(4-chlorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 55358384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).