4-chloro-N-(3-cyclopentylpropyl)butanamide

C12H22ClNO — CID 106009634

IUPAC4-chloro-N-(3-cyclopentylpropyl)butanamide
SMILESO=C(CCCCl)NCCCC1CCCC1
InChIInChI=1S/C12H22ClNO/c13-9-3-8-12(15)14-10-4-7-11-5-1-2-6-11/h11H,1-10H2,(H,14,15)
InChIKeyLOXDOHIAZSEDJV-UHFFFAOYSA-N
MW231.77 g/mol
LogP3.09
Rot. Bonds7

About 4-chloro-N-(3-cyclopentylpropyl)butanamide

4-chloro-N-(3-cyclopentylpropyl)butanamide (PubChem CID 106009634) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is 4-chloro-N-(3-cyclopentylpropyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(3-cyclopentylpropyl)butanamide
PubChem CID106009634
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC Name4-chloro-N-(3-cyclopentylpropyl)butanamide
SMILESO=C(CCCCl)NCCCC1CCCC1
InChIInChI=1S/C12H22ClNO/c13-9-3-8-12(15)14-10-4-7-11-5-1-2-6-11/h11H,1-10H2,(H,14,15)
InChIKeyLOXDOHIAZSEDJV-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 53.09
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

4-chloro-N-(2-cyclopentylethyl)butanamide
CID 63307990
N-(3-aminopropyl)-4-cyclopentylbutanamide
CID 119409090
4-(3-cyclodecylpropylamino)-4-oxobutanoic acid
CID 146506489
N-(2-chloroethyl)-3-cyclohexylpropanamide
CID 61288292
3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide
CID 5183874
6-(4-cyclopentylbutanoylamino)hexanoic acid
CID 119220158
3-(4-cyclohexylbutanoylamino)propanoic acid
CID 43241269
N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]cyclohexanecarboxamide
CID 86877893
4-cyclohexyl-N-[3-[4-[3-(4-cyclohexylbutanoylamino)propyl]piperazin-1-yl]propyl]butanamide
CID 70429171
N-(3-cyclopropylpropyl)-4-(methylamino)butanamide
CID 115740529
4-chloro-N-(2-cyclopentyloxyethyl)butanamide
CID 63828950
4-amino-N-(3-cyclohexylpropyl)pentanamide;hydrochloride
CID 120560365

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-cyclopentylpropyl)butanamide?
The IUPAC name of 4-chloro-N-(3-cyclopentylpropyl)butanamide (CID 106009634) is 4-chloro-N-(3-cyclopentylpropyl)butanamide.
What is the SMILES notation for 4-chloro-N-(3-cyclopentylpropyl)butanamide?
The canonical SMILES for 4-chloro-N-(3-cyclopentylpropyl)butanamide is O=C(CCCCl)NCCCC1CCCC1.
What is the InChIKey of 4-chloro-N-(3-cyclopentylpropyl)butanamide?
The InChIKey is LOXDOHIAZSEDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c13-9-3-8-12(15)14-10-4-7-11-5-1-2-6-11/h11H,1-10H2,(H,14,15).
What are the key properties of 4-chloro-N-(3-cyclopentylpropyl)butanamide?
4-chloro-N-(3-cyclopentylpropyl)butanamide has a molecular weight of 231.77 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-cyclopentylpropyl)butanamide is sourced from PubChem (CID 106009634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).