2-chloro-N-(4-cyclopentyloxyphenyl)acetamide

C13H16ClNO2 — CID 39356793

IUPAC2-chloro-N-(4-cyclopentyloxyphenyl)acetamide
SMILESO=C(CCl)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C13H16ClNO2/c14-9-13(16)15-10-5-7-12(8-6-10)17-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,15,16)
InChIKeyDXXVEAABQHFPMH-UHFFFAOYSA-N
MW253.73 g/mol
LogP3.19
Rot. Bonds4

About 2-chloro-N-(4-cyclopentyloxyphenyl)acetamide

2-chloro-N-(4-cyclopentyloxyphenyl)acetamide (PubChem CID 39356793) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-chloro-N-(4-cyclopentyloxyphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4-cyclopentyloxyphenyl)acetamide
PubChem CID39356793
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-chloro-N-(4-cyclopentyloxyphenyl)acetamide
SMILESO=C(CCl)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C13H16ClNO2/c14-9-13(16)15-10-5-7-12(8-6-10)17-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,15,16)
InChIKeyDXXVEAABQHFPMH-UHFFFAOYSA-N
XLogP3.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 53.19
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

2-bromo-N-(4-cyclohexyloxyphenyl)acetamide
CID 23624715
3-bromo-N-(4-cyclopentyloxyphenyl)propanamide
CID 113385178
2-(4-cyclopentyloxyanilino)-N-phenylacetamide
CID 39998941
6-amino-N-(4-cyclopentyloxyphenyl)hexanamide
CID 43706244
N-(4-cyclopentyloxyphenyl)-4-hydroxypentanamide
CID 79200161
N-(4-cyclohexyloxyphenyl)-2-(diethylamino)acetamide;hydrochloride
CID 3026194
N-[4-(4-cyclopentyloxyanilino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 36567839
N-[3-(4-cyclopentyloxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 46436271
2-hydroxyethyl N-(4-cyclopentyloxyphenyl)carbamate
CID 79346417
tert-butyl 3-[4-[(2-chloroacetyl)amino]phenoxy]azetidine-1-carboxylate
CID 166429078
N-[2-(4-cyclopentyloxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 38455253
2-(4-cyclopentyloxyanilino)acetamide
CID 70088108

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-cyclopentyloxyphenyl)acetamide?
The IUPAC name of 2-chloro-N-(4-cyclopentyloxyphenyl)acetamide (CID 39356793) is 2-chloro-N-(4-cyclopentyloxyphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(4-cyclopentyloxyphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(4-cyclopentyloxyphenyl)acetamide is O=C(CCl)Nc1ccc(OC2CCCC2)cc1.
What is the InChIKey of 2-chloro-N-(4-cyclopentyloxyphenyl)acetamide?
The InChIKey is DXXVEAABQHFPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-9-13(16)15-10-5-7-12(8-6-10)17-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,15,16).
What are the key properties of 2-chloro-N-(4-cyclopentyloxyphenyl)acetamide?
2-chloro-N-(4-cyclopentyloxyphenyl)acetamide has a molecular weight of 253.73 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-cyclopentyloxyphenyl)acetamide is sourced from PubChem (CID 39356793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).