3-(4-fluorophenyl)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide

C17H14F4N2O4 — CID 11740827

IUPAC3-(4-fluorophenyl)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
SMILESCC(O)(Cc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1
InChIInChI=1S/C17H14F4N2O4/c1-16(25,9-10-2-4-11(18)5-3-10)15(24)22-12-6-7-14(23(26)27)13(8-12)17(19,20)21/h2-8,25H,9H2,1H3,(H,22,24)
InChIKeyCKLXMSGIPYTQSY-UHFFFAOYSA-N
MW386.30 g/mol
LogP3.68
Rot. Bonds5

About 3-(4-fluorophenyl)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide

3-(4-fluorophenyl)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide (PubChem CID 11740827) has the molecular formula C17H14F4N2O4 and a molecular weight of 386.30 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
PubChem CID11740827
Molecular FormulaC17H14F4N2O4
Molecular Weight386.30 g/mol
Exact Mass386.09
IUPAC Name3-(4-fluorophenyl)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
SMILESCC(O)(Cc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1
InChIInChI=1S/C17H14F4N2O4/c1-16(25,9-10-2-4-11(18)5-3-10)15(24)22-12-6-7-14(23(26)27)13(8-12)17(19,20)21/h2-8,25H,9H2,1H3,(H,22,24)
InChIKeyCKLXMSGIPYTQSY-UHFFFAOYSA-N
XLogP3.68
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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-fluorophenyl)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide (CID 11740827) is 3-(4-fluorophenyl)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide is CC(O)(Cc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1.
What is the InChIKey of 3-(4-fluorophenyl)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is CKLXMSGIPYTQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N2O4/c1-16(25,9-10-2-4-11(18)5-3-10)15(24)22-12-6-7-14(23(26)27)13(8-12)17(19,20)21/h2-8,25H,9H2,1H3,(H,22,24).
What are the key properties of 3-(4-fluorophenyl)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide?
3-(4-fluorophenyl)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 386.30 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 11740827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).