2-chloro-N-cyclopentyloxy-2-phenylacetamide

C13H16ClNO2 — CID 83228662

IUPAC2-chloro-N-cyclopentyloxy-2-phenylacetamide
SMILESO=C(NOC1CCCC1)C(Cl)c1ccccc1
InChIInChI=1S/C13H16ClNO2/c14-12(10-6-2-1-3-7-10)13(16)15-17-11-8-4-5-9-11/h1-3,6-7,11-12H,4-5,8-9H2,(H,15,16)
InChIKeyDPUGGHAZAQZDDM-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.96
Rot. Bonds4

About 2-chloro-N-cyclopentyloxy-2-phenylacetamide

2-chloro-N-cyclopentyloxy-2-phenylacetamide (PubChem CID 83228662) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyloxy-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-cyclopentyloxy-2-phenylacetamide
PubChem CID83228662
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-chloro-N-cyclopentyloxy-2-phenylacetamide
SMILESO=C(NOC1CCCC1)C(Cl)c1ccccc1
InChIInChI=1S/C13H16ClNO2/c14-12(10-6-2-1-3-7-10)13(16)15-17-11-8-4-5-9-11/h1-3,6-7,11-12H,4-5,8-9H2,(H,15,16)
InChIKeyDPUGGHAZAQZDDM-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-cyclohexyl-2-phenylacetamide
CID 11032339
2-chloro-N-(2-cyclopentyloxyethyl)-2-phenylacetamide
CID 63826472
2-chloro-N-cyclopentyloxypropanamide
CID 83228760
N-(4-aminocyclohexyl)-2-chloro-2-phenylacetamide
CID 62318890
N-cyclopentyloxy-2-phenylacetamide
CID 83202949
2,6-dichloro-N-cyclopentyloxybenzamide
CID 83216790
methyl 3-(cyclopentyloxyamino)-2-phenylpropanoate
CID 83235288
N-cyclopentyloxy-2,3-dimethylbutanamide
CID 83202498
dicyclohexyl 2-phenylpropanedioate
CID 130210180
2-chloro-N-(1-cyclohexylpropyl)-2-phenylacetamide
CID 62407196
1-chloro-3-cyclobutyl-1-phenylpropan-2-one
CID 103164090
2-chloro-1-(oxan-2-yl)-2-phenylethanone
CID 81236728

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyloxy-2-phenylacetamide?
The IUPAC name of 2-chloro-N-cyclopentyloxy-2-phenylacetamide (CID 83228662) is 2-chloro-N-cyclopentyloxy-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-cyclopentyloxy-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-cyclopentyloxy-2-phenylacetamide is O=C(NOC1CCCC1)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-cyclopentyloxy-2-phenylacetamide?
The InChIKey is DPUGGHAZAQZDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-12(10-6-2-1-3-7-10)13(16)15-17-11-8-4-5-9-11/h1-3,6-7,11-12H,4-5,8-9H2,(H,15,16).
What are the key properties of 2-chloro-N-cyclopentyloxy-2-phenylacetamide?
2-chloro-N-cyclopentyloxy-2-phenylacetamide has a molecular weight of 253.73 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyloxy-2-phenylacetamide is sourced from PubChem (CID 83228662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).