2-chloro-2-(3-chloro-5-fluorophenyl)-N-cyclopentylacetamide

C13H14Cl2FNO — CID 114454640

IUPAC2-chloro-2-(3-chloro-5-fluorophenyl)-N-cyclopentylacetamide
SMILESO=C(NC1CCCC1)C(Cl)c1cc(F)cc(Cl)c1
InChIInChI=1S/C13H14Cl2FNO/c14-9-5-8(6-10(16)7-9)12(15)13(18)17-11-3-1-2-4-11/h5-7,11-12H,1-4H2,(H,17,18)
InChIKeyMAIJFZLERQYEMA-UHFFFAOYSA-N
MW290.17 g/mol
LogP3.82
Rot. Bonds3

About 2-chloro-2-(3-chloro-5-fluorophenyl)-N-cyclopentylacetamide

2-chloro-2-(3-chloro-5-fluorophenyl)-N-cyclopentylacetamide (PubChem CID 114454640) has the molecular formula C13H14Cl2FNO and a molecular weight of 290.17 g/mol. Its IUPAC name is 2-chloro-2-(3-chloro-5-fluorophenyl)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-chloro-2-(3-chloro-5-fluorophenyl)-N-cyclopentylacetamide
PubChem CID114454640
Molecular FormulaC13H14Cl2FNO
Molecular Weight290.17 g/mol
Exact Mass289.04
IUPAC Name2-chloro-2-(3-chloro-5-fluorophenyl)-N-cyclopentylacetamide
SMILESO=C(NC1CCCC1)C(Cl)c1cc(F)cc(Cl)c1
InChIInChI=1S/C13H14Cl2FNO/c14-9-5-8(6-10(16)7-9)12(15)13(18)17-11-3-1-2-4-11/h5-7,11-12H,1-4H2,(H,17,18)
InChIKeyMAIJFZLERQYEMA-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.17
LogP ≤ 53.82
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

2-chloro-N-cyclopentyl-2-(4-fluorophenyl)acetamide
CID 62224247
2-chloro-N-cyclopentyl-2-(4-fluoro-3-methylphenyl)acetamide
CID 62224609
2-chloro-N-cyclopropyl-2-(3-fluorophenyl)acetamide
CID 62225506
2-[2-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-1-cyclopentylguanidine
CID 122082261
2-chloro-N-cyclohexyl-2-(3,5-dimethoxyphenyl)acetamide
CID 62224981
2-chloro-N-cyclohexyl-2-phenylacetamide
CID 11032339
2-(3-chloro-5-fluorophenyl)-2-(cyclopropylamino)acetic acid
CID 114453628
2-chloro-N-cyclopentyl-2-(4-methylsulfanylphenyl)acetamide
CID 62224974
2-(5-bromo-2-fluorophenyl)-2-chloro-N-cyclohexylacetamide
CID 62225718
2-chloro-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide
CID 62226849
2-(2-bromo-5-chlorophenyl)-2-chloro-N-cyclohexylacetamide
CID 66158767
(2S)-2-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-N-cycloheptyl-2-(3,5-difluorophenyl)acetamide
CID 68585817

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(3-chloro-5-fluorophenyl)-N-cyclopentylacetamide?
The IUPAC name of 2-chloro-2-(3-chloro-5-fluorophenyl)-N-cyclopentylacetamide (CID 114454640) is 2-chloro-2-(3-chloro-5-fluorophenyl)-N-cyclopentylacetamide.
What is the SMILES notation for 2-chloro-2-(3-chloro-5-fluorophenyl)-N-cyclopentylacetamide?
The canonical SMILES for 2-chloro-2-(3-chloro-5-fluorophenyl)-N-cyclopentylacetamide is O=C(NC1CCCC1)C(Cl)c1cc(F)cc(Cl)c1.
What is the InChIKey of 2-chloro-2-(3-chloro-5-fluorophenyl)-N-cyclopentylacetamide?
The InChIKey is MAIJFZLERQYEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2FNO/c14-9-5-8(6-10(16)7-9)12(15)13(18)17-11-3-1-2-4-11/h5-7,11-12H,1-4H2,(H,17,18).
What are the key properties of 2-chloro-2-(3-chloro-5-fluorophenyl)-N-cyclopentylacetamide?
2-chloro-2-(3-chloro-5-fluorophenyl)-N-cyclopentylacetamide has a molecular weight of 290.17 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(3-chloro-5-fluorophenyl)-N-cyclopentylacetamide is sourced from PubChem (CID 114454640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).