N-(3-chloropropyl)-3-cyclopentylpropanamide

C11H20ClNO — CID 17164611

IUPACN-(3-chloropropyl)-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)NCCCCl
InChIInChI=1S/C11H20ClNO/c12-8-3-9-13-11(14)7-6-10-4-1-2-5-10/h10H,1-9H2,(H,13,14)
InChIKeyJFACKWFVIBSGQC-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.70
Rot. Bonds6

About N-(3-chloropropyl)-3-cyclopentylpropanamide

N-(3-chloropropyl)-3-cyclopentylpropanamide (PubChem CID 17164611) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is N-(3-chloropropyl)-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-3-cyclopentylpropanamide
PubChem CID17164611
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC NameN-(3-chloropropyl)-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)NCCCCl
InChIInChI=1S/C11H20ClNO/c12-8-3-9-13-11(14)7-6-10-4-1-2-5-10/h10H,1-9H2,(H,13,14)
InChIKeyJFACKWFVIBSGQC-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.70
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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Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-3-cyclopentylpropanamide?
The IUPAC name of N-(3-chloropropyl)-3-cyclopentylpropanamide (CID 17164611) is N-(3-chloropropyl)-3-cyclopentylpropanamide.
What is the SMILES notation for N-(3-chloropropyl)-3-cyclopentylpropanamide?
The canonical SMILES for N-(3-chloropropyl)-3-cyclopentylpropanamide is O=C(CCC1CCCC1)NCCCCl.
What is the InChIKey of N-(3-chloropropyl)-3-cyclopentylpropanamide?
The InChIKey is JFACKWFVIBSGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c12-8-3-9-13-11(14)7-6-10-4-1-2-5-10/h10H,1-9H2,(H,13,14).
What are the key properties of N-(3-chloropropyl)-3-cyclopentylpropanamide?
N-(3-chloropropyl)-3-cyclopentylpropanamide has a molecular weight of 217.74 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-3-cyclopentylpropanamide is sourced from PubChem (CID 17164611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).