N-(2-chloropropyl)butanamide

C7H14ClNO — CID 57294659

IUPACN-(2-chloropropyl)butanamide
SMILESCCCC(=O)NCC(C)Cl
InChIInChI=1S/C7H14ClNO/c1-3-4-7(10)9-5-6(2)8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyCWHRZZUXCJJWST-UHFFFAOYSA-N
MW163.65 g/mol
LogP1.53
Rot. Bonds4

About N-(2-chloropropyl)butanamide

N-(2-chloropropyl)butanamide (PubChem CID 57294659) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is N-(2-chloropropyl)butanamide.

Molecular Properties

Compound NameN-(2-chloropropyl)butanamide
PubChem CID57294659
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC NameN-(2-chloropropyl)butanamide
SMILESCCCC(=O)NCC(C)Cl
InChIInChI=1S/C7H14ClNO/c1-3-4-7(10)9-5-6(2)8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyCWHRZZUXCJJWST-UHFFFAOYSA-N
XLogP1.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 51.53
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-(2,3-dihydroxypropyl)butanamide
CID 20700885
N-(3-amino-2-hydroxypropyl)butanamide
CID 167081643
N-(2,2-diethoxyethyl)butanamide
CID 79548415
N-(2-chloro-3-methylbutyl)heptanamide
CID 114754075
3-chloro-N-(2-hydroxypropyl)propanamide
CID 59011978
N-(2-amino-3-ethylpentyl)butanamide
CID 106285745
N-[2-(2-hydroxypropylamino)ethyl]butanamide
CID 104593451
N-(2-hydroxy-3-methoxypropyl)butanamide
CID 20700886
N-[2-(butanoylamino)ethyl]-3-methylbutanamide
CID 108570913
N-(4-bromo-2-ethylbutyl)butanamide
CID 114317545
N-(3-chlorobutyl)hexanamide
CID 114301760
N-[3-(hexadecanoylamino)-2-methylpropyl]hexadecanamide
CID 130353709

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)butanamide?
The IUPAC name of N-(2-chloropropyl)butanamide (CID 57294659) is N-(2-chloropropyl)butanamide.
What is the SMILES notation for N-(2-chloropropyl)butanamide?
The canonical SMILES for N-(2-chloropropyl)butanamide is CCCC(=O)NCC(C)Cl.
What is the InChIKey of N-(2-chloropropyl)butanamide?
The InChIKey is CWHRZZUXCJJWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO/c1-3-4-7(10)9-5-6(2)8/h6H,3-5H2,1-2H3,(H,9,10).
What are the key properties of N-(2-chloropropyl)butanamide?
N-(2-chloropropyl)butanamide has a molecular weight of 163.65 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)butanamide is sourced from PubChem (CID 57294659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).