N-(2-chlorocyclopentyl)-4-(difluoromethoxy)benzamide

C13H14ClF2NO2 — CID 106443998

IUPACN-(2-chlorocyclopentyl)-4-(difluoromethoxy)benzamide
SMILESO=C(NC1CCCC1Cl)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H14ClF2NO2/c14-10-2-1-3-11(10)17-12(18)8-4-6-9(7-5-8)19-13(15)16/h4-7,10-11,13H,1-3H2,(H,17,18)
InChIKeyLUHPJNCQGOWZPB-UHFFFAOYSA-N
MW289.71 g/mol
LogP3.18
Rot. Bonds4

About N-(2-chlorocyclopentyl)-4-(difluoromethoxy)benzamide

N-(2-chlorocyclopentyl)-4-(difluoromethoxy)benzamide (PubChem CID 106443998) has the molecular formula C13H14ClF2NO2 and a molecular weight of 289.71 g/mol. Its IUPAC name is N-(2-chlorocyclopentyl)-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(2-chlorocyclopentyl)-4-(difluoromethoxy)benzamide
PubChem CID106443998
Molecular FormulaC13H14ClF2NO2
Molecular Weight289.71 g/mol
Exact Mass289.07
IUPAC NameN-(2-chlorocyclopentyl)-4-(difluoromethoxy)benzamide
SMILESO=C(NC1CCCC1Cl)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H14ClF2NO2/c14-10-2-1-3-11(10)17-12(18)8-4-6-9(7-5-8)19-13(15)16/h4-7,10-11,13H,1-3H2,(H,17,18)
InChIKeyLUHPJNCQGOWZPB-UHFFFAOYSA-N
XLogP3.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.71
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-4-(difluoromethoxy)benzamide;hydrochloride
CID 119609331
cyclobutyl-[4-(difluoromethoxy)phenyl]methanone
CID 115811389
4-(difluoromethoxy)-N-[2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]benzamide
CID 11919811
4-(difluoromethoxy)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]benzamide
CID 96506947
4-(difluoromethoxy)-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide
CID 133267024
N-(2-chlorocyclopentyl)-3-fluorobenzamide
CID 106443839
4-chloro-N-(2-chlorocyclopentyl)-3-methylbenzamide
CID 106444087
N-(2-amino-1-cyclopentylethyl)-4-(difluoromethoxy)benzamide
CID 106737206
N-(2-chlorocyclohexyl)-3,4-dimethoxybenzamide
CID 114301169
N-(2-chlorocyclohexyl)-4-fluoro-3-methylbenzamide
CID 114301095
3-(difluoromethoxy)-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 51537876
(4-chloropiperidin-1-yl)-[4-(difluoromethoxy)phenyl]methanone
CID 63390547

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclopentyl)-4-(difluoromethoxy)benzamide?
The IUPAC name of N-(2-chlorocyclopentyl)-4-(difluoromethoxy)benzamide (CID 106443998) is N-(2-chlorocyclopentyl)-4-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(2-chlorocyclopentyl)-4-(difluoromethoxy)benzamide?
The canonical SMILES for N-(2-chlorocyclopentyl)-4-(difluoromethoxy)benzamide is O=C(NC1CCCC1Cl)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-(2-chlorocyclopentyl)-4-(difluoromethoxy)benzamide?
The InChIKey is LUHPJNCQGOWZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF2NO2/c14-10-2-1-3-11(10)17-12(18)8-4-6-9(7-5-8)19-13(15)16/h4-7,10-11,13H,1-3H2,(H,17,18).
What are the key properties of N-(2-chlorocyclopentyl)-4-(difluoromethoxy)benzamide?
N-(2-chlorocyclopentyl)-4-(difluoromethoxy)benzamide has a molecular weight of 289.71 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclopentyl)-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 106443998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).