2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-hydroxypropanamide

C16H13F4NO2 — CID 11616838

IUPAC2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-hydroxypropanamide
SMILESCC(C(=O)NO)c1ccc(-c2ccc(C(F)(F)F)cc2)c(F)c1
InChIInChI=1S/C16H13F4NO2/c1-9(15(22)21-23)11-4-7-13(14(17)8-11)10-2-5-12(6-3-10)16(18,19)20/h2-9,23H,1H3,(H,21,22)
InChIKeyMDYVWGWVYYOPHM-UHFFFAOYSA-N
MW327.28 g/mol
LogP4.12
Rot. Bonds3

About 2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-hydroxypropanamide

2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-hydroxypropanamide (PubChem CID 11616838) has the molecular formula C16H13F4NO2 and a molecular weight of 327.28 g/mol. Its IUPAC name is 2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-hydroxypropanamide
PubChem CID11616838
Molecular FormulaC16H13F4NO2
Molecular Weight327.28 g/mol
Exact Mass327.09
IUPAC Name2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-hydroxypropanamide
SMILESCC(C(=O)NO)c1ccc(-c2ccc(C(F)(F)F)cc2)c(F)c1
InChIInChI=1S/C16H13F4NO2/c1-9(15(22)21-23)11-4-7-13(14(17)8-11)10-2-5-12(6-3-10)16(18,19)20/h2-9,23H,1H3,(H,21,22)
InChIKeyMDYVWGWVYYOPHM-UHFFFAOYSA-N
XLogP4.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-hydroxypropanamide?
The IUPAC name of 2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-hydroxypropanamide (CID 11616838) is 2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-hydroxypropanamide.
What is the SMILES notation for 2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-hydroxypropanamide?
The canonical SMILES for 2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-hydroxypropanamide is CC(C(=O)NO)c1ccc(-c2ccc(C(F)(F)F)cc2)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-hydroxypropanamide?
The InChIKey is MDYVWGWVYYOPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4NO2/c1-9(15(22)21-23)11-4-7-13(14(17)8-11)10-2-5-12(6-3-10)16(18,19)20/h2-9,23H,1H3,(H,21,22).
What are the key properties of 2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-hydroxypropanamide?
2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-hydroxypropanamide has a molecular weight of 327.28 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-hydroxypropanamide is sourced from PubChem (CID 11616838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).