4-chloro-N-(2-chlorocyclopentyl)-3-methylbenzamide

C13H15Cl2NO — CID 106444087

IUPAC4-chloro-N-(2-chlorocyclopentyl)-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CCCC2Cl)ccc1Cl
InChIInChI=1S/C13H15Cl2NO/c1-8-7-9(5-6-10(8)14)13(17)16-12-4-2-3-11(12)15/h5-7,11-12H,2-4H2,1H3,(H,16,17)
InChIKeyUPRGTKVGOIQIQV-UHFFFAOYSA-N
MW272.18 g/mol
LogP3.54
Rot. Bonds2

About 4-chloro-N-(2-chlorocyclopentyl)-3-methylbenzamide

4-chloro-N-(2-chlorocyclopentyl)-3-methylbenzamide (PubChem CID 106444087) has the molecular formula C13H15Cl2NO and a molecular weight of 272.18 g/mol. Its IUPAC name is 4-chloro-N-(2-chlorocyclopentyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-chlorocyclopentyl)-3-methylbenzamide
PubChem CID106444087
Molecular FormulaC13H15Cl2NO
Molecular Weight272.18 g/mol
Exact Mass271.05
IUPAC Name4-chloro-N-(2-chlorocyclopentyl)-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CCCC2Cl)ccc1Cl
InChIInChI=1S/C13H15Cl2NO/c1-8-7-9(5-6-10(8)14)13(17)16-12-4-2-3-11(12)15/h5-7,11-12H,2-4H2,1H3,(H,16,17)
InChIKeyUPRGTKVGOIQIQV-UHFFFAOYSA-N
XLogP3.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorocyclohexyl)-4-fluoro-3-methylbenzamide
CID 114301095
N-[2-(bromomethyl)cyclohexyl]-4-chloro-3-methylbenzamide
CID 114179693
N-(2-chlorocyclohexyl)-3,4-dimethoxybenzamide
CID 114301169
2-[(3-chloro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64815140
3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide
CID 104956646
N-(2-chlorocyclopentyl)-3-fluorobenzamide
CID 106443839
4-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-3-methylbenzamide
CID 114982975
4-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylbenzamide
CID 113304909
4-bromo-N-(2-chlorocyclohexyl)-2-methylbenzamide
CID 113272606
4-hydroxy-3-methyl-N-(2-methylcyclopentyl)benzamide
CID 113358322
4-bromo-N-(2-chlorocycloheptyl)-2-methylbenzamide
CID 113395058
4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbenzamide
CID 114631389

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-chlorocyclopentyl)-3-methylbenzamide?
The IUPAC name of 4-chloro-N-(2-chlorocyclopentyl)-3-methylbenzamide (CID 106444087) is 4-chloro-N-(2-chlorocyclopentyl)-3-methylbenzamide.
What is the SMILES notation for 4-chloro-N-(2-chlorocyclopentyl)-3-methylbenzamide?
The canonical SMILES for 4-chloro-N-(2-chlorocyclopentyl)-3-methylbenzamide is Cc1cc(C(=O)NC2CCCC2Cl)ccc1Cl.
What is the InChIKey of 4-chloro-N-(2-chlorocyclopentyl)-3-methylbenzamide?
The InChIKey is UPRGTKVGOIQIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO/c1-8-7-9(5-6-10(8)14)13(17)16-12-4-2-3-11(12)15/h5-7,11-12H,2-4H2,1H3,(H,16,17).
What are the key properties of 4-chloro-N-(2-chlorocyclopentyl)-3-methylbenzamide?
4-chloro-N-(2-chlorocyclopentyl)-3-methylbenzamide has a molecular weight of 272.18 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-chlorocyclopentyl)-3-methylbenzamide is sourced from PubChem (CID 106444087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).