4-chloro-N,N-diethylbutanamide

C8H16ClNO — CID 2434869

IUPAC4-chloro-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CCCCl
InChIInChI=1S/C8H16ClNO/c1-3-10(4-2)8(11)6-5-7-9/h3-7H2,1-2H3
InChIKeyHHBZYNJHOOGYPZ-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.87
Rot. Bonds5

About 4-chloro-N,N-diethylbutanamide

4-chloro-N,N-diethylbutanamide (PubChem CID 2434869) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 4-chloro-N,N-diethylbutanamide.

Molecular Properties

Compound Name4-chloro-N,N-diethylbutanamide
PubChem CID2434869
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name4-chloro-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CCCCl
InChIInChI=1S/C8H16ClNO/c1-3-10(4-2)8(11)6-5-7-9/h3-7H2,1-2H3
InChIKeyHHBZYNJHOOGYPZ-UHFFFAOYSA-N
XLogP1.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.87
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

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1-[4-[4-Chlorobutyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one
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4-Chloro-1-(pyrrolidin-1-yl)butan-1-one
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N-(4-chlorobutyl)butanamide
CID 637113
3-chloro-N,N-diethylpropanamide
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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 4-chloro-N,N-diethylbutanamide?
The IUPAC name of 4-chloro-N,N-diethylbutanamide (CID 2434869) is 4-chloro-N,N-diethylbutanamide.
What is the SMILES notation for 4-chloro-N,N-diethylbutanamide?
The canonical SMILES for 4-chloro-N,N-diethylbutanamide is CCN(CC)C(=O)CCCCl.
What is the InChIKey of 4-chloro-N,N-diethylbutanamide?
The InChIKey is HHBZYNJHOOGYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-3-10(4-2)8(11)6-5-7-9/h3-7H2,1-2H3.
What are the key properties of 4-chloro-N,N-diethylbutanamide?
4-chloro-N,N-diethylbutanamide has a molecular weight of 177.67 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethylbutanamide is sourced from PubChem (CID 2434869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).