2-chloro-N-cyclohexylbutanamide

C10H18ClNO — CID 56977658

IUPAC2-chloro-N-cyclohexylbutanamide
SMILESCCC(Cl)C(=O)NC1CCCCC1
InChIInChI=1S/C10H18ClNO/c1-2-9(11)10(13)12-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyFPHJUBQDFJFNKL-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.45
Rot. Bonds3

About 2-chloro-N-cyclohexylbutanamide

2-chloro-N-cyclohexylbutanamide (PubChem CID 56977658) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 2-chloro-N-cyclohexylbutanamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexylbutanamide
PubChem CID56977658
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name2-chloro-N-cyclohexylbutanamide
SMILESCCC(Cl)C(=O)NC1CCCCC1
InChIInChI=1S/C10H18ClNO/c1-2-9(11)10(13)12-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyFPHJUBQDFJFNKL-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexylbutanamide?
The IUPAC name of 2-chloro-N-cyclohexylbutanamide (CID 56977658) is 2-chloro-N-cyclohexylbutanamide.
What is the SMILES notation for 2-chloro-N-cyclohexylbutanamide?
The canonical SMILES for 2-chloro-N-cyclohexylbutanamide is CCC(Cl)C(=O)NC1CCCCC1.
What is the InChIKey of 2-chloro-N-cyclohexylbutanamide?
The InChIKey is FPHJUBQDFJFNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-2-9(11)10(13)12-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-chloro-N-cyclohexylbutanamide?
2-chloro-N-cyclohexylbutanamide has a molecular weight of 203.71 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexylbutanamide is sourced from PubChem (CID 56977658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).