3-[4-(4-cyanophenyl)phenoxy]-N-hydroxypropanamide

C16H14N2O3 — CID 10039403

IUPAC3-[4-(4-cyanophenyl)phenoxy]-N-hydroxypropanamide
SMILESN#Cc1ccc(-c2ccc(OCCC(=O)NO)cc2)cc1
InChIInChI=1S/C16H14N2O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)21-10-9-16(19)18-20/h1-8,20H,9-10H2,(H,18,19)
InChIKeyXZWFHJUEAVOHHG-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.50
Rot. Bonds5

About 3-[4-(4-cyanophenyl)phenoxy]-N-hydroxypropanamide

3-[4-(4-cyanophenyl)phenoxy]-N-hydroxypropanamide (PubChem CID 10039403) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-[4-(4-cyanophenyl)phenoxy]-N-hydroxypropanamide.

Molecular Properties

Compound Name3-[4-(4-cyanophenyl)phenoxy]-N-hydroxypropanamide
PubChem CID10039403
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name3-[4-(4-cyanophenyl)phenoxy]-N-hydroxypropanamide
SMILESN#Cc1ccc(-c2ccc(OCCC(=O)NO)cc2)cc1
InChIInChI=1S/C16H14N2O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)21-10-9-16(19)18-20/h1-8,20H,9-10H2,(H,18,19)
InChIKeyXZWFHJUEAVOHHG-UHFFFAOYSA-N
XLogP2.50
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-cyanophenyl)phenoxy]-N-hydroxypropanamide?
The IUPAC name of 3-[4-(4-cyanophenyl)phenoxy]-N-hydroxypropanamide (CID 10039403) is 3-[4-(4-cyanophenyl)phenoxy]-N-hydroxypropanamide.
What is the SMILES notation for 3-[4-(4-cyanophenyl)phenoxy]-N-hydroxypropanamide?
The canonical SMILES for 3-[4-(4-cyanophenyl)phenoxy]-N-hydroxypropanamide is N#Cc1ccc(-c2ccc(OCCC(=O)NO)cc2)cc1.
What is the InChIKey of 3-[4-(4-cyanophenyl)phenoxy]-N-hydroxypropanamide?
The InChIKey is XZWFHJUEAVOHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)21-10-9-16(19)18-20/h1-8,20H,9-10H2,(H,18,19).
What are the key properties of 3-[4-(4-cyanophenyl)phenoxy]-N-hydroxypropanamide?
3-[4-(4-cyanophenyl)phenoxy]-N-hydroxypropanamide has a molecular weight of 282.30 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-cyanophenyl)phenoxy]-N-hydroxypropanamide is sourced from PubChem (CID 10039403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).