N-[(3-chlorocyclopentyl)methyl]-3-cyclopentylpropanamide

C14H24ClNO — CID 106126792

IUPACN-[(3-chlorocyclopentyl)methyl]-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)NCC1CCC(Cl)C1
InChIInChI=1S/C14H24ClNO/c15-13-7-5-12(9-13)10-16-14(17)8-6-11-3-1-2-4-11/h11-13H,1-10H2,(H,16,17)
InChIKeyMADDIWAQWFMLDW-UHFFFAOYSA-N
MW257.80 g/mol
LogP3.48
Rot. Bonds5

About N-[(3-chlorocyclopentyl)methyl]-3-cyclopentylpropanamide

N-[(3-chlorocyclopentyl)methyl]-3-cyclopentylpropanamide (PubChem CID 106126792) has the molecular formula C14H24ClNO and a molecular weight of 257.80 g/mol. Its IUPAC name is N-[(3-chlorocyclopentyl)methyl]-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-[(3-chlorocyclopentyl)methyl]-3-cyclopentylpropanamide
PubChem CID106126792
Molecular FormulaC14H24ClNO
Molecular Weight257.80 g/mol
Exact Mass257.15
IUPAC NameN-[(3-chlorocyclopentyl)methyl]-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)NCC1CCC(Cl)C1
InChIInChI=1S/C14H24ClNO/c15-13-7-5-12(9-13)10-16-14(17)8-6-11-3-1-2-4-11/h11-13H,1-10H2,(H,16,17)
InChIKeyMADDIWAQWFMLDW-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.80
LogP ≤ 53.48
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-[(3-chlorocyclopentyl)methyl]butanamide
CID 106126960
N-[(4-aminocyclohexyl)methyl]-3-cyclohexylpropanamide
CID 106124035
N-[(3-chlorocyclopentyl)methyl]pentanamide
CID 106127433
N-[(3-chlorocyclopentyl)methyl]decanamide
CID 106126403
N-(2-chloroethyl)-3-cyclohexylpropanamide
CID 61288292
3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide
CID 5183874
N-[(3-chlorocyclopentyl)methyl]-1-cyclohexylmethanamine
CID 106121204
N-[(3-chlorocyclohexyl)methyl]heptanamide
CID 106132379
N-[(3-chlorocyclopentyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106126851
N-(4-chloropentyl)-3-cyclopentylpropanamide
CID 106129653
CID 43558685
CID 43558685
N-(2-amino-2-oxoethyl)-3-cyclopentylpropanamide
CID 60668206

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclopentyl)methyl]-3-cyclopentylpropanamide?
The IUPAC name of N-[(3-chlorocyclopentyl)methyl]-3-cyclopentylpropanamide (CID 106126792) is N-[(3-chlorocyclopentyl)methyl]-3-cyclopentylpropanamide.
What is the SMILES notation for N-[(3-chlorocyclopentyl)methyl]-3-cyclopentylpropanamide?
The canonical SMILES for N-[(3-chlorocyclopentyl)methyl]-3-cyclopentylpropanamide is O=C(CCC1CCCC1)NCC1CCC(Cl)C1.
What is the InChIKey of N-[(3-chlorocyclopentyl)methyl]-3-cyclopentylpropanamide?
The InChIKey is MADDIWAQWFMLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO/c15-13-7-5-12(9-13)10-16-14(17)8-6-11-3-1-2-4-11/h11-13H,1-10H2,(H,16,17).
What are the key properties of N-[(3-chlorocyclopentyl)methyl]-3-cyclopentylpropanamide?
N-[(3-chlorocyclopentyl)methyl]-3-cyclopentylpropanamide has a molecular weight of 257.80 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclopentyl)methyl]-3-cyclopentylpropanamide is sourced from PubChem (CID 106126792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).