N-(4-chlorobutyl)butanamide

C8H16ClNO — CID 637113

IUPACN-(4-chlorobutyl)butanamide
SMILESCCCC(=O)NCCCCCl
InChIInChI=1S/C8H16ClNO/c1-2-5-8(11)10-7-4-3-6-9/h2-7H2,1H3,(H,10,11)
InChIKeyICZQQNWGRJQXLK-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.92
Rot. Bonds6

About N-(4-chlorobutyl)butanamide

N-(4-chlorobutyl)butanamide (PubChem CID 637113) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is N-(4-chlorobutyl)butanamide.

Molecular Properties

Compound NameN-(4-chlorobutyl)butanamide
PubChem CID637113
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC NameN-(4-chlorobutyl)butanamide
SMILESCCCC(=O)NCCCCCl
InChIInChI=1S/C8H16ClNO/c1-2-5-8(11)10-7-4-3-6-9/h2-7H2,1H3,(H,10,11)
InChIKeyICZQQNWGRJQXLK-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.92
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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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobutyl)butanamide?
The IUPAC name of N-(4-chlorobutyl)butanamide (CID 637113) is N-(4-chlorobutyl)butanamide.
What is the SMILES notation for N-(4-chlorobutyl)butanamide?
The canonical SMILES for N-(4-chlorobutyl)butanamide is CCCC(=O)NCCCCCl.
What is the InChIKey of N-(4-chlorobutyl)butanamide?
The InChIKey is ICZQQNWGRJQXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-2-5-8(11)10-7-4-3-6-9/h2-7H2,1H3,(H,10,11).
What are the key properties of N-(4-chlorobutyl)butanamide?
N-(4-chlorobutyl)butanamide has a molecular weight of 177.67 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobutyl)butanamide is sourced from PubChem (CID 637113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).