4-[4-(4-chlorophenyl)phenoxy]-N-hydroxybutanamide

C16H16ClNO3 — CID 22915500

IUPAC4-[4-(4-chlorophenyl)phenoxy]-N-hydroxybutanamide
SMILESO=C(CCCOc1ccc(-c2ccc(Cl)cc2)cc1)NO
InChIInChI=1S/C16H16ClNO3/c17-14-7-3-12(4-8-14)13-5-9-15(10-6-13)21-11-1-2-16(19)18-20/h3-10,20H,1-2,11H2,(H,18,19)
InChIKeyYHTVMDHNCJJIHF-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.67
Rot. Bonds6

About 4-[4-(4-chlorophenyl)phenoxy]-N-hydroxybutanamide

4-[4-(4-chlorophenyl)phenoxy]-N-hydroxybutanamide (PubChem CID 22915500) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)phenoxy]-N-hydroxybutanamide.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)phenoxy]-N-hydroxybutanamide
PubChem CID22915500
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name4-[4-(4-chlorophenyl)phenoxy]-N-hydroxybutanamide
SMILESO=C(CCCOc1ccc(-c2ccc(Cl)cc2)cc1)NO
InChIInChI=1S/C16H16ClNO3/c17-14-7-3-12(4-8-14)13-5-9-15(10-6-13)21-11-1-2-16(19)18-20/h3-10,20H,1-2,11H2,(H,18,19)
InChIKeyYHTVMDHNCJJIHF-UHFFFAOYSA-N
XLogP3.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[4-(4-chlorophenyl)phenoxy]-N-hydroxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)phenoxy]-N-hydroxybutanamide?
The IUPAC name of 4-[4-(4-chlorophenyl)phenoxy]-N-hydroxybutanamide (CID 22915500) is 4-[4-(4-chlorophenyl)phenoxy]-N-hydroxybutanamide.
What is the SMILES notation for 4-[4-(4-chlorophenyl)phenoxy]-N-hydroxybutanamide?
The canonical SMILES for 4-[4-(4-chlorophenyl)phenoxy]-N-hydroxybutanamide is O=C(CCCOc1ccc(-c2ccc(Cl)cc2)cc1)NO.
What is the InChIKey of 4-[4-(4-chlorophenyl)phenoxy]-N-hydroxybutanamide?
The InChIKey is YHTVMDHNCJJIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c17-14-7-3-12(4-8-14)13-5-9-15(10-6-13)21-11-1-2-16(19)18-20/h3-10,20H,1-2,11H2,(H,18,19).
What are the key properties of 4-[4-(4-chlorophenyl)phenoxy]-N-hydroxybutanamide?
4-[4-(4-chlorophenyl)phenoxy]-N-hydroxybutanamide has a molecular weight of 305.76 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)phenoxy]-N-hydroxybutanamide is sourced from PubChem (CID 22915500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).