2-bromo-3-methyl-N-[4-(methylamino)cyclohexyl]benzamide

C15H21BrN2O — CID 107983181

IUPAC2-bromo-3-methyl-N-[4-(methylamino)cyclohexyl]benzamide
SMILESCNC1CCC(NC(=O)c2cccc(C)c2Br)CC1
InChIInChI=1S/C15H21BrN2O/c1-10-4-3-5-13(14(10)16)15(19)18-12-8-6-11(17-2)7-9-12/h3-5,11-12,17H,6-9H2,1-2H3,(H,18,19)
InChIKeyJRJWTMRUWSQKCZ-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.02
Rot. Bonds3

About 2-bromo-3-methyl-N-[4-(methylamino)cyclohexyl]benzamide

2-bromo-3-methyl-N-[4-(methylamino)cyclohexyl]benzamide (PubChem CID 107983181) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-[4-(methylamino)cyclohexyl]benzamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-[4-(methylamino)cyclohexyl]benzamide
PubChem CID107983181
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name2-bromo-3-methyl-N-[4-(methylamino)cyclohexyl]benzamide
SMILESCNC1CCC(NC(=O)c2cccc(C)c2Br)CC1
InChIInChI=1S/C15H21BrN2O/c1-10-4-3-5-13(14(10)16)15(19)18-12-8-6-11(17-2)7-9-12/h3-5,11-12,17H,6-9H2,1-2H3,(H,18,19)
InChIKeyJRJWTMRUWSQKCZ-UHFFFAOYSA-N
XLogP3.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-bromo-3-methyl-N-[4-(methylamino)cyclohexyl]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-3-methyl-N-(4-oxocyclohexyl)benzamide
CID 114023828
2-bromo-N-cyclopent-3-en-1-yl-3-methylbenzamide
CID 103855346
2-bromo-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110364
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
2-bromo-N-[3-(cyclopropylamino)propyl]-3-methylbenzamide
CID 107983057
2-[(2-bromo-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106703293
N-cyclopropyl-2-ethenyl-3-methylbenzamide
CID 169452426
2-bromo-N-(1-cyclobutylethyl)-3-methylbenzamide
CID 103855542
2-bromo-3-methyl-N-(2-methylsulfanylcyclopentyl)benzamide
CID 103855203
2-bromo-3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 103855167
3-bromo-4-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 81476356
N-cyclobutyl-2-hydroxy-3-methylbenzamide
CID 62416564

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-[4-(methylamino)cyclohexyl]benzamide?
The IUPAC name of 2-bromo-3-methyl-N-[4-(methylamino)cyclohexyl]benzamide (CID 107983181) is 2-bromo-3-methyl-N-[4-(methylamino)cyclohexyl]benzamide.
What is the SMILES notation for 2-bromo-3-methyl-N-[4-(methylamino)cyclohexyl]benzamide?
The canonical SMILES for 2-bromo-3-methyl-N-[4-(methylamino)cyclohexyl]benzamide is CNC1CCC(NC(=O)c2cccc(C)c2Br)CC1.
What is the InChIKey of 2-bromo-3-methyl-N-[4-(methylamino)cyclohexyl]benzamide?
The InChIKey is JRJWTMRUWSQKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-10-4-3-5-13(14(10)16)15(19)18-12-8-6-11(17-2)7-9-12/h3-5,11-12,17H,6-9H2,1-2H3,(H,18,19).
What are the key properties of 2-bromo-3-methyl-N-[4-(methylamino)cyclohexyl]benzamide?
2-bromo-3-methyl-N-[4-(methylamino)cyclohexyl]benzamide has a molecular weight of 325.25 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-[4-(methylamino)cyclohexyl]benzamide is sourced from PubChem (CID 107983181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).