N-(4-chloropentyl)-3-cyclopentylpropanamide

C13H24ClNO — CID 106129653

IUPACN-(4-chloropentyl)-3-cyclopentylpropanamide
SMILESCC(Cl)CCCNC(=O)CCC1CCCC1
InChIInChI=1S/C13H24ClNO/c1-11(14)5-4-10-15-13(16)9-8-12-6-2-3-7-12/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyUHXZCGYYAJZWIJ-UHFFFAOYSA-N
MW245.79 g/mol
LogP3.48
Rot. Bonds7

About N-(4-chloropentyl)-3-cyclopentylpropanamide

N-(4-chloropentyl)-3-cyclopentylpropanamide (PubChem CID 106129653) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is N-(4-chloropentyl)-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-(4-chloropentyl)-3-cyclopentylpropanamide
PubChem CID106129653
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC NameN-(4-chloropentyl)-3-cyclopentylpropanamide
SMILESCC(Cl)CCCNC(=O)CCC1CCCC1
InChIInChI=1S/C13H24ClNO/c1-11(14)5-4-10-15-13(16)9-8-12-6-2-3-7-12/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyUHXZCGYYAJZWIJ-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyl-N-(5-hydroxy-4-methylpentyl)propanamide
CID 113340801
3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide
CID 5183874
3-cyclohexyl-N-undecylpropanamide
CID 5146202
3-cyclopentyl-N-[2-(3-hydroxybutylamino)-2-oxoethyl]propanamide
CID 111433458
4-amino-N-(3-cyclohexylpropyl)pentanamide;hydrochloride
CID 120560365
N-(2-chloroethyl)-3-cyclohexylpropanamide
CID 61288292
3-cyclopentyl-N-(2-methylpropyl)propanamide
CID 918369
7-(3-cyclopentylpropanoylamino)heptanoic acid
CID 24697400
6-(3-cyclopentylpropanoylamino)hexanoic acid
CID 16784943
5-amino-N-(2-cyclopentylethyl)hexanamide
CID 82852565
3-cyclopentyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide
CID 104593435
N-(4-chloropentyl)-2-(thian-4-yl)acetamide
CID 106129807

Frequently Asked Questions

What is the IUPAC name of N-(4-chloropentyl)-3-cyclopentylpropanamide?
The IUPAC name of N-(4-chloropentyl)-3-cyclopentylpropanamide (CID 106129653) is N-(4-chloropentyl)-3-cyclopentylpropanamide.
What is the SMILES notation for N-(4-chloropentyl)-3-cyclopentylpropanamide?
The canonical SMILES for N-(4-chloropentyl)-3-cyclopentylpropanamide is CC(Cl)CCCNC(=O)CCC1CCCC1.
What is the InChIKey of N-(4-chloropentyl)-3-cyclopentylpropanamide?
The InChIKey is UHXZCGYYAJZWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO/c1-11(14)5-4-10-15-13(16)9-8-12-6-2-3-7-12/h11-12H,2-10H2,1H3,(H,15,16).
What are the key properties of N-(4-chloropentyl)-3-cyclopentylpropanamide?
N-(4-chloropentyl)-3-cyclopentylpropanamide has a molecular weight of 245.79 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloropentyl)-3-cyclopentylpropanamide is sourced from PubChem (CID 106129653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).