N-butyl-4-chlorobutanamide

C8H16ClNO — CID 4218503

IUPACN-butyl-4-chlorobutanamide
SMILESCCCCNC(=O)CCCCl
InChIInChI=1S/C8H16ClNO/c1-2-3-7-10-8(11)5-4-6-9/h2-7H2,1H3,(H,10,11)
InChIKeyMATMHSSBGIRYDI-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.92
Rot. Bonds6

About N-butyl-4-chlorobutanamide

N-butyl-4-chlorobutanamide (PubChem CID 4218503) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is N-butyl-4-chlorobutanamide.

Molecular Properties

Compound NameN-butyl-4-chlorobutanamide
PubChem CID4218503
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC NameN-butyl-4-chlorobutanamide
SMILESCCCCNC(=O)CCCCl
InChIInChI=1S/C8H16ClNO/c1-2-3-7-10-8(11)5-4-6-9/h2-7H2,1H3,(H,10,11)
InChIKeyMATMHSSBGIRYDI-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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Related Compounds

N-butyl-5-chloropentanamide
CID 28733165
N-(3-chloropropyl)dodecanamide
CID 17164369
5-chloro-N-nonylpentanamide
CID 91692760
N-(5-chloropentyl)dodecanamide
CID 107321143
N-[2-(3-chloropropanoylamino)ethyl]pentanamide
CID 108573823
N-[7-(pentanoylamino)heptyl]pentanamide
CID 4139658
6-(butylamino)-6-oxohexanoic acid
CID 43529485
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N'-heptyl-N-hexylpentanediamide
CID 154688669
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-chlorobutanamide?
The IUPAC name of N-butyl-4-chlorobutanamide (CID 4218503) is N-butyl-4-chlorobutanamide.
What is the SMILES notation for N-butyl-4-chlorobutanamide?
The canonical SMILES for N-butyl-4-chlorobutanamide is CCCCNC(=O)CCCCl.
What is the InChIKey of N-butyl-4-chlorobutanamide?
The InChIKey is MATMHSSBGIRYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-2-3-7-10-8(11)5-4-6-9/h2-7H2,1H3,(H,10,11).
What are the key properties of N-butyl-4-chlorobutanamide?
N-butyl-4-chlorobutanamide 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-butyl-4-chlorobutanamide is sourced from PubChem (CID 4218503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).