4-bromo-N-(2-chlorocyclohexyl)-2-methylbenzamide

C14H17BrClNO — CID 113272606

IUPAC4-bromo-N-(2-chlorocyclohexyl)-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)NC1CCCCC1Cl
InChIInChI=1S/C14H17BrClNO/c1-9-8-10(15)6-7-11(9)14(18)17-13-5-3-2-4-12(13)16/h6-8,12-13H,2-5H2,1H3,(H,17,18)
InChIKeySHZQLWOMYDQVMK-UHFFFAOYSA-N
MW330.65 g/mol
LogP4.04
Rot. Bonds2

About 4-bromo-N-(2-chlorocyclohexyl)-2-methylbenzamide

4-bromo-N-(2-chlorocyclohexyl)-2-methylbenzamide (PubChem CID 113272606) has the molecular formula C14H17BrClNO and a molecular weight of 330.65 g/mol. Its IUPAC name is 4-bromo-N-(2-chlorocyclohexyl)-2-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-chlorocyclohexyl)-2-methylbenzamide
PubChem CID113272606
Molecular FormulaC14H17BrClNO
Molecular Weight330.65 g/mol
Exact Mass329.02
IUPAC Name4-bromo-N-(2-chlorocyclohexyl)-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)NC1CCCCC1Cl
InChIInChI=1S/C14H17BrClNO/c1-9-8-10(15)6-7-11(9)14(18)17-13-5-3-2-4-12(13)16/h6-8,12-13H,2-5H2,1H3,(H,17,18)
InChIKeySHZQLWOMYDQVMK-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.65
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-bromo-N-(2-chlorocyclohexyl)-2-methylbenzamide 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

4-bromo-N-(2-chlorocycloheptyl)-2-methylbenzamide
CID 113395058
4-bromo-N-(2-bromocyclohexyl)-2-methylbenzamide
CID 113275078
2,4-dibromo-N-(2-chlorocycloheptyl)benzamide
CID 107941355
4-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide
CID 113395123
5-bromo-N-(2-chlorocyclohexyl)-2-fluorobenzamide
CID 114301350
N-(2-chlorocyclohexyl)-2-methyl-4-nitrobenzamide
CID 114301360
4-bromo-2-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclopentyl]benzamide
CID 66681471
5-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzamide
CID 104956752
2-bromo-N-(2-chlorocyclohexyl)benzamide
CID 114301050
N-(3-aminocyclobutyl)-4-bromo-2-methylbenzamide
CID 43630056
N-(2-chlorocyclohexyl)-4-fluoro-3-methylbenzamide
CID 114301095
2-bromo-N-(2-chlorocyclopentyl)-4-fluorobenzamide
CID 106444049

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-chlorocyclohexyl)-2-methylbenzamide?
The IUPAC name of 4-bromo-N-(2-chlorocyclohexyl)-2-methylbenzamide (CID 113272606) is 4-bromo-N-(2-chlorocyclohexyl)-2-methylbenzamide.
What is the SMILES notation for 4-bromo-N-(2-chlorocyclohexyl)-2-methylbenzamide?
The canonical SMILES for 4-bromo-N-(2-chlorocyclohexyl)-2-methylbenzamide is Cc1cc(Br)ccc1C(=O)NC1CCCCC1Cl.
What is the InChIKey of 4-bromo-N-(2-chlorocyclohexyl)-2-methylbenzamide?
The InChIKey is SHZQLWOMYDQVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO/c1-9-8-10(15)6-7-11(9)14(18)17-13-5-3-2-4-12(13)16/h6-8,12-13H,2-5H2,1H3,(H,17,18).
What are the key properties of 4-bromo-N-(2-chlorocyclohexyl)-2-methylbenzamide?
4-bromo-N-(2-chlorocyclohexyl)-2-methylbenzamide has a molecular weight of 330.65 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-chlorocyclohexyl)-2-methylbenzamide is sourced from PubChem (CID 113272606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).