4-chloro-N-cyclopropylbutanamide

C7H12ClNO — CID 5152347

IUPAC4-chloro-N-cyclopropylbutanamide
SMILESO=C(CCCCl)NC1CC1
InChIInChI=1S/C7H12ClNO/c8-5-1-2-7(10)9-6-3-4-6/h6H,1-5H2,(H,9,10)
InChIKeyHBJZQNQWASIYFF-UHFFFAOYSA-N
MW161.63 g/mol
LogP1.28
Rot. Bonds4

About 4-chloro-N-cyclopropylbutanamide

4-chloro-N-cyclopropylbutanamide (PubChem CID 5152347) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is 4-chloro-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropylbutanamide
PubChem CID5152347
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC Name4-chloro-N-cyclopropylbutanamide
SMILESO=C(CCCCl)NC1CC1
InChIInChI=1S/C7H12ClNO/c8-5-1-2-7(10)9-6-3-4-6/h6H,1-5H2,(H,9,10)
InChIKeyHBJZQNQWASIYFF-UHFFFAOYSA-N
XLogP1.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 51.28
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

4-chloro-N-(4-ethylcyclohexyl)butanamide
CID 63308231
5-chloro-N-cyclooctylpentanamide
CID 28733608
N,N'-dicyclopropyldecanediamide
CID 4668836
N,N'-dicyclopropylbutanediamide
CID 5225156
3-chloro-N-cycloheptylpropanamide
CID 5152151
4-chloro-N-(oxolan-3-yl)butanamide
CID 80717187
N-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl)-4-chlorobutanamide
CID 165477169
5-chloro-N-(3,4-dimethylcyclohexyl)pentanamide
CID 64743274
4-chloro-N-(1,1-dioxothian-3-yl)butanamide
CID 63923315
4-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylbutanamide
CID 81429288
4-chloro-N-(3-ethylcyclohexyl)butanamide
CID 64748225
5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]pentanamide
CID 43700730

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropylbutanamide?
The IUPAC name of 4-chloro-N-cyclopropylbutanamide (CID 5152347) is 4-chloro-N-cyclopropylbutanamide.
What is the SMILES notation for 4-chloro-N-cyclopropylbutanamide?
The canonical SMILES for 4-chloro-N-cyclopropylbutanamide is O=C(CCCCl)NC1CC1.
What is the InChIKey of 4-chloro-N-cyclopropylbutanamide?
The InChIKey is HBJZQNQWASIYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO/c8-5-1-2-7(10)9-6-3-4-6/h6H,1-5H2,(H,9,10).
What are the key properties of 4-chloro-N-cyclopropylbutanamide?
4-chloro-N-cyclopropylbutanamide has a molecular weight of 161.63 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropylbutanamide is sourced from PubChem (CID 5152347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).