N,3-dihydroxy-3-[4-(trifluoromethyl)phenyl]propanamide

C10H10F3NO3 — CID 72707669

IUPACN,3-dihydroxy-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CC(O)c1ccc(C(F)(F)F)cc1)NO
InChIInChI=1S/C10H10F3NO3/c11-10(12,13)7-3-1-6(2-4-7)8(15)5-9(16)14-17/h1-4,8,15,17H,5H2,(H,14,16)
InChIKeyIBFNZPDYLZCKOS-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.63
Rot. Bonds3

About N,3-dihydroxy-3-[4-(trifluoromethyl)phenyl]propanamide

N,3-dihydroxy-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 72707669) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is N,3-dihydroxy-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN,3-dihydroxy-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID72707669
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC NameN,3-dihydroxy-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CC(O)c1ccc(C(F)(F)F)cc1)NO
InChIInChI=1S/C10H10F3NO3/c11-10(12,13)7-3-1-6(2-4-7)8(15)5-9(16)14-17/h1-4,8,15,17H,5H2,(H,14,16)
InChIKeyIBFNZPDYLZCKOS-UHFFFAOYSA-N
XLogP1.63
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 N,3-dihydroxy-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N,3-dihydroxy-3-[4-(trifluoromethyl)phenyl]propanamide (CID 72707669) is N,3-dihydroxy-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N,3-dihydroxy-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N,3-dihydroxy-3-[4-(trifluoromethyl)phenyl]propanamide is O=C(CC(O)c1ccc(C(F)(F)F)cc1)NO.
What is the InChIKey of N,3-dihydroxy-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is IBFNZPDYLZCKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c11-10(12,13)7-3-1-6(2-4-7)8(15)5-9(16)14-17/h1-4,8,15,17H,5H2,(H,14,16).
What are the key properties of N,3-dihydroxy-3-[4-(trifluoromethyl)phenyl]propanamide?
N,3-dihydroxy-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 249.19 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dihydroxy-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 72707669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).