N,N-dibutyl-4-chlorobutanamide

C12H24ClNO — CID 3531291

IUPACN,N-dibutyl-4-chlorobutanamide
SMILESCCCCN(CCCC)C(=O)CCCCl
InChIInChI=1S/C12H24ClNO/c1-3-5-10-14(11-6-4-2)12(15)8-7-9-13/h3-11H2,1-2H3
InChIKeyUJIBJKONJLJLAU-UHFFFAOYSA-N
MW233.78 g/mol
LogP3.43
Rot. Bonds9

About N,N-dibutyl-4-chlorobutanamide

N,N-dibutyl-4-chlorobutanamide (PubChem CID 3531291) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is N,N-dibutyl-4-chlorobutanamide.

Molecular Properties

Compound NameN,N-dibutyl-4-chlorobutanamide
PubChem CID3531291
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC NameN,N-dibutyl-4-chlorobutanamide
SMILESCCCCN(CCCC)C(=O)CCCCl
InChIInChI=1S/C12H24ClNO/c1-3-5-10-14(11-6-4-2)12(15)8-7-9-13/h3-11H2,1-2H3
InChIKeyUJIBJKONJLJLAU-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-Dibutyl-2-chloroacetamide
CID 222374
1-[4-[4-Chlorobutyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one
CID 13935693
4-chloro-N,N-dimethylbutyramide
CID 89852
4-Chloro-1-(pyrrolidin-1-yl)butan-1-one
CID 304079
N-(4-chlorobutyl)butanamide
CID 637113
3-chloro-N,N-diethylpropanamide
CID 5210698
4-Chloro-1-(4-methylpiperazin-1-yl)butan-1-one
CID 4658757
Propanamide, N,N-dibutyl-3-chloro-
CID 533190
N-butyl-5-chloro-N-(trifluoromethyl)pentanamide
CID 44550871
4-Chloro-1-(piperidin-1-yl)butan-1-one
CID 304080
Propanamide, N,N-dibutyl-2-chloro-
CID 533079
Propanamide, N,N-dihexyl-3-chloro-
CID 533192

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-4-chlorobutanamide?
The IUPAC name of N,N-dibutyl-4-chlorobutanamide (CID 3531291) is N,N-dibutyl-4-chlorobutanamide.
What is the SMILES notation for N,N-dibutyl-4-chlorobutanamide?
The canonical SMILES for N,N-dibutyl-4-chlorobutanamide is CCCCN(CCCC)C(=O)CCCCl.
What is the InChIKey of N,N-dibutyl-4-chlorobutanamide?
The InChIKey is UJIBJKONJLJLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-3-5-10-14(11-6-4-2)12(15)8-7-9-13/h3-11H2,1-2H3.
What are the key properties of N,N-dibutyl-4-chlorobutanamide?
N,N-dibutyl-4-chlorobutanamide has a molecular weight of 233.78 g/mol, XLogP of 3.43, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-4-chlorobutanamide is sourced from PubChem (CID 3531291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).