N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide

C14H18BrNO — CID 3728666

IUPACN-(2-bromo-4-methylphenyl)cyclohexanecarboxamide
SMILESCc1ccc(NC(=O)C2CCCCC2)c(Br)c1
InChIInChI=1S/C14H18BrNO/c1-10-7-8-13(12(15)9-10)16-14(17)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17)
InChIKeyQLTMMCXJWXDIFT-UHFFFAOYSA-N
MW296.21 g/mol
LogP4.28
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide

N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide (PubChem CID 3728666) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)cyclohexanecarboxamide
PubChem CID3728666
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC NameN-(2-bromo-4-methylphenyl)cyclohexanecarboxamide
SMILESCc1ccc(NC(=O)C2CCCCC2)c(Br)c1
InChIInChI=1S/C14H18BrNO/c1-10-7-8-13(12(15)9-10)16-14(17)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17)
InChIKeyQLTMMCXJWXDIFT-UHFFFAOYSA-N
XLogP4.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide 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

1-N-(2-bromo-4-methylphenyl)-4-N-tert-butylcyclohexane-1,4-dicarboxamide
CID 109149632
N-(4-amino-2-bromophenyl)cyclohexanecarboxamide
CID 1133414
methyl 4-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 113008293
3-bromo-4-(cyclooctanecarbonylamino)benzoic acid
CID 65019429
tert-butyl 3-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 84554272
N-(4-methyl-2-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide
CID 168512570
N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106737103
N-(4-bromo-2-methylphenyl)cyclohexanecarboxamide
CID 798737
N-(2-chloro-5-methylphenyl)cyclohexanecarboxamide
CID 123821603
(3S)-N-(2-bromo-4-methylphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 25490278
N-(2-hydroxy-5-methylphenyl)cyclopentanecarboxamide
CID 1234653
N-(2-bromo-4-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583701

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide (CID 3728666) is N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide is Cc1ccc(NC(=O)C2CCCCC2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide?
The InChIKey is QLTMMCXJWXDIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-10-7-8-13(12(15)9-10)16-14(17)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17).
What are the key properties of N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide?
N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide has a molecular weight of 296.21 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide is sourced from PubChem (CID 3728666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).