2-chloro-N-[cyclopentyl(phenyl)methyl]acetamide

C14H18ClNO — CID 54592496

IUPAC2-chloro-N-[cyclopentyl(phenyl)methyl]acetamide
SMILESO=C(CCl)NC(c1ccccc1)C1CCCC1
InChIInChI=1S/C14H18ClNO/c15-10-13(17)16-14(12-8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7,12,14H,4-5,8-10H2,(H,16,17)
InChIKeyZBPDWWZMWVJDOX-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.27
Rot. Bonds4

About 2-chloro-N-[cyclopentyl(phenyl)methyl]acetamide

2-chloro-N-[cyclopentyl(phenyl)methyl]acetamide (PubChem CID 54592496) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-chloro-N-[cyclopentyl(phenyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[cyclopentyl(phenyl)methyl]acetamide
PubChem CID54592496
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name2-chloro-N-[cyclopentyl(phenyl)methyl]acetamide
SMILESO=C(CCl)NC(c1ccccc1)C1CCCC1
InChIInChI=1S/C14H18ClNO/c15-10-13(17)16-14(12-8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7,12,14H,4-5,8-10H2,(H,16,17)
InChIKeyZBPDWWZMWVJDOX-UHFFFAOYSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[cyclopentyl(phenyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[cyclopentyl(phenyl)methyl]acetamide (CID 54592496) is 2-chloro-N-[cyclopentyl(phenyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[cyclopentyl(phenyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[cyclopentyl(phenyl)methyl]acetamide is O=C(CCl)NC(c1ccccc1)C1CCCC1.
What is the InChIKey of 2-chloro-N-[cyclopentyl(phenyl)methyl]acetamide?
The InChIKey is ZBPDWWZMWVJDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c15-10-13(17)16-14(12-8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7,12,14H,4-5,8-10H2,(H,16,17).
What are the key properties of 2-chloro-N-[cyclopentyl(phenyl)methyl]acetamide?
2-chloro-N-[cyclopentyl(phenyl)methyl]acetamide has a molecular weight of 251.76 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[cyclopentyl(phenyl)methyl]acetamide is sourced from PubChem (CID 54592496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).