4-chloro-N-(oxolan-3-yl)butanamide

C8H14ClNO2 — CID 80717187

IUPAC4-chloro-N-(oxolan-3-yl)butanamide
SMILESO=C(CCCCl)NC1CCOC1
InChIInChI=1S/C8H14ClNO2/c9-4-1-2-8(11)10-7-3-5-12-6-7/h7H,1-6H2,(H,10,11)
InChIKeyYZQWALXBTHIJKS-UHFFFAOYSA-N
MW191.66 g/mol
LogP0.91
Rot. Bonds4

About 4-chloro-N-(oxolan-3-yl)butanamide

4-chloro-N-(oxolan-3-yl)butanamide (PubChem CID 80717187) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is 4-chloro-N-(oxolan-3-yl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(oxolan-3-yl)butanamide
PubChem CID80717187
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name4-chloro-N-(oxolan-3-yl)butanamide
SMILESO=C(CCCCl)NC1CCOC1
InChIInChI=1S/C8H14ClNO2/c9-4-1-2-8(11)10-7-3-5-12-6-7/h7H,1-6H2,(H,10,11)
InChIKeyYZQWALXBTHIJKS-UHFFFAOYSA-N
XLogP0.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(oxan-3-yl)pentanamide
CID 63363269
3-chloro-N-(1,4-dioxepan-6-yl)propanamide
CID 130658722
4-chloro-N-cyclopropylbutanamide
CID 5152347
5-oxo-N-(oxolan-3-yl)-5-phenylpentanamide
CID 86287240
4-amino-4-methyl-N-(oxolan-3-yl)pentanamide
CID 80713467
N-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl)-4-chlorobutanamide
CID 165477169
5-chloro-N-cyclooctylpentanamide
CID 28733608
3-methyl-N-[(3R)-oxolan-3-yl]butanamide
CID 176873242
3-chloro-N-cycloheptylpropanamide
CID 5152151
4-chloro-N-(4-ethylcyclohexyl)butanamide
CID 63308231
3-ethylsulfonyl-N-(oxan-3-yl)propanamide
CID 176706473
1-cyclopentyl-3-(oxolan-3-yl)urea
CID 115758222

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(oxolan-3-yl)butanamide?
The IUPAC name of 4-chloro-N-(oxolan-3-yl)butanamide (CID 80717187) is 4-chloro-N-(oxolan-3-yl)butanamide.
What is the SMILES notation for 4-chloro-N-(oxolan-3-yl)butanamide?
The canonical SMILES for 4-chloro-N-(oxolan-3-yl)butanamide is O=C(CCCCl)NC1CCOC1.
What is the InChIKey of 4-chloro-N-(oxolan-3-yl)butanamide?
The InChIKey is YZQWALXBTHIJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO2/c9-4-1-2-8(11)10-7-3-5-12-6-7/h7H,1-6H2,(H,10,11).
What are the key properties of 4-chloro-N-(oxolan-3-yl)butanamide?
4-chloro-N-(oxolan-3-yl)butanamide has a molecular weight of 191.66 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(oxolan-3-yl)butanamide is sourced from PubChem (CID 80717187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).