2-bromo-4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide

C13H15BrClNO — CID 107988270

IUPAC2-bromo-4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
SMILESCC1CC1CN(C)C(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H15BrClNO/c1-8-5-9(8)7-16(2)13(17)11-4-3-10(15)6-12(11)14/h3-4,6,8-9H,5,7H2,1-2H3
InChIKeyGWDPUVWJOYLFGT-UHFFFAOYSA-N
MW316.63 g/mol
LogP3.83
Rot. Bonds3

About 2-bromo-4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide

2-bromo-4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide (PubChem CID 107988270) has the molecular formula C13H15BrClNO and a molecular weight of 316.63 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
PubChem CID107988270
Molecular FormulaC13H15BrClNO
Molecular Weight316.63 g/mol
Exact Mass315.00
IUPAC Name2-bromo-4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
SMILESCC1CC1CN(C)C(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H15BrClNO/c1-8-5-9(8)7-16(2)13(17)11-4-3-10(15)6-12(11)14/h3-4,6,8-9H,5,7H2,1-2H3
InChIKeyGWDPUVWJOYLFGT-UHFFFAOYSA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.63
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-bromo-4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-4-chloro-N-[(3-chlorocyclobutyl)methyl]-N-methylbenzamide
CID 114025196
2-bromo-4-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 113257549
4-hydroxy-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 107671595
2-bromo-4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 103840263
4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide
CID 81233422
2-amino-5-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 55257844
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-bromo-4-chloro-N-methylbenzamide
CID 107992431
2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzamide
CID 63865891
5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]thiophene-3-carboxamide
CID 63866512
3-amino-5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 107872784
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-dibromo-N-methylbenzamide
CID 107952430
2,4-dibromo-N-(cyclopropylmethyl)-N-methylbenzamide
CID 103882559

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide?
The IUPAC name of 2-bromo-4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide (CID 107988270) is 2-bromo-4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide is CC1CC1CN(C)C(=O)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide?
The InChIKey is GWDPUVWJOYLFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO/c1-8-5-9(8)7-16(2)13(17)11-4-3-10(15)6-12(11)14/h3-4,6,8-9H,5,7H2,1-2H3.
What are the key properties of 2-bromo-4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide?
2-bromo-4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide has a molecular weight of 316.63 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 107988270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).