2-chloro-N-[1-[(2-methylphenyl)methyl]cyclopentyl]acetamide

C15H20ClNO — CID 82133784

IUPAC2-chloro-N-[1-[(2-methylphenyl)methyl]cyclopentyl]acetamide
SMILESCc1ccccc1CC1(NC(=O)CCl)CCCC1
InChIInChI=1S/C15H20ClNO/c1-12-6-2-3-7-13(12)10-15(8-4-5-9-15)17-14(18)11-16/h2-3,6-7H,4-5,8-11H2,1H3,(H,17,18)
InChIKeyKJRBBSLRZBHZOQ-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.21
Rot. Bonds4

About 2-chloro-N-[1-[(2-methylphenyl)methyl]cyclopentyl]acetamide

2-chloro-N-[1-[(2-methylphenyl)methyl]cyclopentyl]acetamide (PubChem CID 82133784) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 2-chloro-N-[1-[(2-methylphenyl)methyl]cyclopentyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-[(2-methylphenyl)methyl]cyclopentyl]acetamide
PubChem CID82133784
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name2-chloro-N-[1-[(2-methylphenyl)methyl]cyclopentyl]acetamide
SMILESCc1ccccc1CC1(NC(=O)CCl)CCCC1
InChIInChI=1S/C15H20ClNO/c1-12-6-2-3-7-13(12)10-15(8-4-5-9-15)17-14(18)11-16/h2-3,6-7H,4-5,8-11H2,1H3,(H,17,18)
InChIKeyKJRBBSLRZBHZOQ-UHFFFAOYSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.21
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-[1-[(2-methylphenyl)methyl]cyclopentyl]acetamide?
The IUPAC name of 2-chloro-N-[1-[(2-methylphenyl)methyl]cyclopentyl]acetamide (CID 82133784) is 2-chloro-N-[1-[(2-methylphenyl)methyl]cyclopentyl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-[(2-methylphenyl)methyl]cyclopentyl]acetamide?
The canonical SMILES for 2-chloro-N-[1-[(2-methylphenyl)methyl]cyclopentyl]acetamide is Cc1ccccc1CC1(NC(=O)CCl)CCCC1.
What is the InChIKey of 2-chloro-N-[1-[(2-methylphenyl)methyl]cyclopentyl]acetamide?
The InChIKey is KJRBBSLRZBHZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-12-6-2-3-7-13(12)10-15(8-4-5-9-15)17-14(18)11-16/h2-3,6-7H,4-5,8-11H2,1H3,(H,17,18).
What are the key properties of 2-chloro-N-[1-[(2-methylphenyl)methyl]cyclopentyl]acetamide?
2-chloro-N-[1-[(2-methylphenyl)methyl]cyclopentyl]acetamide has a molecular weight of 265.78 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[(2-methylphenyl)methyl]cyclopentyl]acetamide is sourced from PubChem (CID 82133784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).