N-(2-chloropropyl)cyclopentanecarboxamide

C9H16ClNO — CID 114296250

IUPACN-(2-chloropropyl)cyclopentanecarboxamide
SMILESCC(Cl)CNC(=O)C1CCCC1
InChIInChI=1S/C9H16ClNO/c1-7(10)6-11-9(12)8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyVCZBCPOFDSWYCJ-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.92
Rot. Bonds3

About N-(2-chloropropyl)cyclopentanecarboxamide

N-(2-chloropropyl)cyclopentanecarboxamide (PubChem CID 114296250) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is N-(2-chloropropyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(2-chloropropyl)cyclopentanecarboxamide
PubChem CID114296250
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC NameN-(2-chloropropyl)cyclopentanecarboxamide
SMILESCC(Cl)CNC(=O)C1CCCC1
InChIInChI=1S/C9H16ClNO/c1-7(10)6-11-9(12)8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyVCZBCPOFDSWYCJ-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.92
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

N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
N-(3-bromo-2-methylpropyl)cyclooctanecarboxamide
CID 114313551
N-(4-bromo-2-methylbutyl)cyclopentanecarboxamide
CID 114316713
N-(2-amino-3-hydroxybutyl)cycloheptanecarboxamide
CID 64539549
N-(2-chloro-3-methoxypropyl)cyclobutanecarboxamide
CID 114299025
N-(2-cyanopropyl)cyclooctanecarboxamide
CID 65018661
N-(2-amino-4-methylpentyl)cyclooctanecarboxamide
CID 107158623
methyl 2-bromo-3-(cyclohexanecarbonylamino)propanoate
CID 103492560
methyl 2-bromo-3-(cyclooctanecarbonylamino)propanoate
CID 103492357
N-(2-hydroxypropyl)cyclopropanecarboxamide
CID 43392750
N-(2-bromopropyl)cyclopropanecarboxamide
CID 114308592
N-(3-amino-3-hydroxyimino-2-methylpropyl)cycloheptanecarboxamide
CID 76948246

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)cyclopentanecarboxamide?
The IUPAC name of N-(2-chloropropyl)cyclopentanecarboxamide (CID 114296250) is N-(2-chloropropyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(2-chloropropyl)cyclopentanecarboxamide?
The canonical SMILES for N-(2-chloropropyl)cyclopentanecarboxamide is CC(Cl)CNC(=O)C1CCCC1.
What is the InChIKey of N-(2-chloropropyl)cyclopentanecarboxamide?
The InChIKey is VCZBCPOFDSWYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-7(10)6-11-9(12)8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H,11,12).
What are the key properties of N-(2-chloropropyl)cyclopentanecarboxamide?
N-(2-chloropropyl)cyclopentanecarboxamide has a molecular weight of 189.69 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)cyclopentanecarboxamide is sourced from PubChem (CID 114296250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).