4-chloro-3-hydroxybutanamide

C4H8ClNO2 — CID 11400806

IUPAC4-chloro-3-hydroxybutanamide
SMILESNC(=O)CC(O)CCl
InChIInChI=1S/C4H8ClNO2/c5-2-3(7)1-4(6)8/h3,7H,1-2H2,(H2,6,8)
InChIKeyNWQXZIZIZSQPHR-UHFFFAOYSA-N
MW137.57 g/mol
LogP-0.54
Rot. Bonds3

About 4-chloro-3-hydroxybutanamide

4-chloro-3-hydroxybutanamide (PubChem CID 11400806) has the molecular formula C4H8ClNO2 and a molecular weight of 137.57 g/mol. Its IUPAC name is 4-chloro-3-hydroxybutanamide.

Molecular Properties

Compound Name4-chloro-3-hydroxybutanamide
PubChem CID11400806
Molecular FormulaC4H8ClNO2
Molecular Weight137.57 g/mol
Exact Mass137.02
IUPAC Name4-chloro-3-hydroxybutanamide
SMILESNC(=O)CC(O)CCl
InChIInChI=1S/C4H8ClNO2/c5-2-3(7)1-4(6)8/h3,7H,1-2H2,(H2,6,8)
InChIKeyNWQXZIZIZSQPHR-UHFFFAOYSA-N
XLogP-0.54
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.57
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-hydroxybutanamide?
The IUPAC name of 4-chloro-3-hydroxybutanamide (CID 11400806) is 4-chloro-3-hydroxybutanamide.
What is the SMILES notation for 4-chloro-3-hydroxybutanamide?
The canonical SMILES for 4-chloro-3-hydroxybutanamide is NC(=O)CC(O)CCl.
What is the InChIKey of 4-chloro-3-hydroxybutanamide?
The InChIKey is NWQXZIZIZSQPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClNO2/c5-2-3(7)1-4(6)8/h3,7H,1-2H2,(H2,6,8).
What are the key properties of 4-chloro-3-hydroxybutanamide?
4-chloro-3-hydroxybutanamide has a molecular weight of 137.57 g/mol, XLogP of -0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-hydroxybutanamide is sourced from PubChem (CID 11400806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).