4-chloro-N-octan-4-ylbutanamide

C12H24ClNO — CID 106019308

IUPAC4-chloro-N-octan-4-ylbutanamide
SMILESCCCCC(CCC)NC(=O)CCCCl
InChIInChI=1S/C12H24ClNO/c1-3-5-8-11(7-4-2)14-12(15)9-6-10-13/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyDQBIKUWMKXLFQD-UHFFFAOYSA-N
MW233.78 g/mol
LogP3.48
Rot. Bonds9

About 4-chloro-N-octan-4-ylbutanamide

4-chloro-N-octan-4-ylbutanamide (PubChem CID 106019308) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 4-chloro-N-octan-4-ylbutanamide.

Molecular Properties

Compound Name4-chloro-N-octan-4-ylbutanamide
PubChem CID106019308
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name4-chloro-N-octan-4-ylbutanamide
SMILESCCCCC(CCC)NC(=O)CCCCl
InChIInChI=1S/C12H24ClNO/c1-3-5-8-11(7-4-2)14-12(15)9-6-10-13/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyDQBIKUWMKXLFQD-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
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-octan-4-ylpentanamide
CID 91803774
4-hydroxy-N-octan-4-ylbutanamide
CID 106022325
3-(methylamino)-N-octan-4-ylpropanamide
CID 106025922
4-chloro-N-pentan-3-ylbutanamide
CID 16788679
2-(methylamino)-N-octan-4-ylacetamide;hydrochloride
CID 119816540
5-chloro-N-heptan-2-ylpentanamide
CID 43578895
N-butyl-4-chlorobutanamide
CID 4218503
2-methyl-3-(octan-4-ylamino)-3-oxopropanoic acid
CID 106021991
1-cyclopentyl-3-octan-4-ylurea
CID 103729065
N-pentan-3-yldocosanamide
CID 123339332
(2R)-2-amino-N-octan-4-ylpentanamide
CID 103797903
5-chloro-N-hex-1-yn-3-ylpentanamide
CID 106227479

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-octan-4-ylbutanamide?
The IUPAC name of 4-chloro-N-octan-4-ylbutanamide (CID 106019308) is 4-chloro-N-octan-4-ylbutanamide.
What is the SMILES notation for 4-chloro-N-octan-4-ylbutanamide?
The canonical SMILES for 4-chloro-N-octan-4-ylbutanamide is CCCCC(CCC)NC(=O)CCCCl.
What is the InChIKey of 4-chloro-N-octan-4-ylbutanamide?
The InChIKey is DQBIKUWMKXLFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-3-5-8-11(7-4-2)14-12(15)9-6-10-13/h11H,3-10H2,1-2H3,(H,14,15).
What are the key properties of 4-chloro-N-octan-4-ylbutanamide?
4-chloro-N-octan-4-ylbutanamide has a molecular weight of 233.78 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-octan-4-ylbutanamide is sourced from PubChem (CID 106019308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).