N-(3-amino-4-chlorophenyl)-2-cyclopentyloxyacetamide

C13H17ClN2O2 — CID 16794185

IUPACN-(3-amino-4-chlorophenyl)-2-cyclopentyloxyacetamide
SMILESNc1cc(NC(=O)COC2CCCC2)ccc1Cl
InChIInChI=1S/C13H17ClN2O2/c14-11-6-5-9(7-12(11)15)16-13(17)8-18-10-3-1-2-4-10/h5-7,10H,1-4,8,15H2,(H,16,17)
InChIKeyHPQMJHCYOIGDPO-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.82
Rot. Bonds4

About N-(3-amino-4-chlorophenyl)-2-cyclopentyloxyacetamide

N-(3-amino-4-chlorophenyl)-2-cyclopentyloxyacetamide (PubChem CID 16794185) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-cyclopentyloxyacetamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-cyclopentyloxyacetamide
PubChem CID16794185
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-(3-amino-4-chlorophenyl)-2-cyclopentyloxyacetamide
SMILESNc1cc(NC(=O)COC2CCCC2)ccc1Cl
InChIInChI=1S/C13H17ClN2O2/c14-11-6-5-9(7-12(11)15)16-13(17)8-18-10-3-1-2-4-10/h5-7,10H,1-4,8,15H2,(H,16,17)
InChIKeyHPQMJHCYOIGDPO-UHFFFAOYSA-N
XLogP2.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide
CID 114340622
N-(3-amino-4-chlorophenyl)-2-(oxetan-3-yloxy)acetamide
CID 102605623
N-(4-aminophenyl)-2-cyclopentyloxyacetamide
CID 16783535
N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-cyclopentyloxyacetamide
CID 96551042
N-(2-amino-5-chlorophenyl)-2-cyclopentyloxyacetamide
CID 16793284
N-(3-amino-4-chlorophenyl)-2-cyclopentylsulfanylacetamide
CID 62057025
N-(2-amino-5-chlorophenyl)-2-cycloheptyloxyacetamide
CID 61069352
N-(3-amino-4-chlorophenyl)-3-cyclohexylsulfanylpropanamide
CID 60886574
N-(3-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)acetamide
CID 102956361
N-(3-amino-4-chlorophenyl)-2-(2,6-dichlorophenoxy)acetamide
CID 60800025
N-(3-amino-4-chlorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide
CID 30111948
N-(3-amino-4-chlorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide
CID 61443934

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-cyclopentyloxyacetamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-cyclopentyloxyacetamide (CID 16794185) is N-(3-amino-4-chlorophenyl)-2-cyclopentyloxyacetamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-cyclopentyloxyacetamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-cyclopentyloxyacetamide is Nc1cc(NC(=O)COC2CCCC2)ccc1Cl.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-cyclopentyloxyacetamide?
The InChIKey is HPQMJHCYOIGDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-11-6-5-9(7-12(11)15)16-13(17)8-18-10-3-1-2-4-10/h5-7,10H,1-4,8,15H2,(H,16,17).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-cyclopentyloxyacetamide?
N-(3-amino-4-chlorophenyl)-2-cyclopentyloxyacetamide has a molecular weight of 268.74 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-cyclopentyloxyacetamide is sourced from PubChem (CID 16794185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).