2-hydroxy-N-[4-nitro-3-(trifluoromethyl)phenyl]-4-phenyl-2-(trifluoromethyl)pentanamide

C19H16F6N2O4 — CID 10478916

IUPAC2-hydroxy-N-[4-nitro-3-(trifluoromethyl)phenyl]-4-phenyl-2-(trifluoromethyl)pentanamide
SMILESCC(CC(O)(C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C19H16F6N2O4/c1-11(12-5-3-2-4-6-12)10-17(29,19(23,24)25)16(28)26-13-7-8-15(27(30)31)14(9-13)18(20,21)22/h2-9,11,29H,10H2,1H3,(H,26,28)
InChIKeyRETGATTXHQWSOT-UHFFFAOYSA-N
MW450.34 g/mol
LogP5.04
Rot. Bonds6

About 2-hydroxy-N-[4-nitro-3-(trifluoromethyl)phenyl]-4-phenyl-2-(trifluoromethyl)pentanamide

2-hydroxy-N-[4-nitro-3-(trifluoromethyl)phenyl]-4-phenyl-2-(trifluoromethyl)pentanamide (PubChem CID 10478916) has the molecular formula C19H16F6N2O4 and a molecular weight of 450.34 g/mol. Its IUPAC name is 2-hydroxy-N-[4-nitro-3-(trifluoromethyl)phenyl]-4-phenyl-2-(trifluoromethyl)pentanamide.

Molecular Properties

Compound Name2-hydroxy-N-[4-nitro-3-(trifluoromethyl)phenyl]-4-phenyl-2-(trifluoromethyl)pentanamide
PubChem CID10478916
Molecular FormulaC19H16F6N2O4
Molecular Weight450.34 g/mol
Exact Mass450.10
IUPAC Name2-hydroxy-N-[4-nitro-3-(trifluoromethyl)phenyl]-4-phenyl-2-(trifluoromethyl)pentanamide
SMILESCC(CC(O)(C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C19H16F6N2O4/c1-11(12-5-3-2-4-6-12)10-17(29,19(23,24)25)16(28)26-13-7-8-15(27(30)31)14(9-13)18(20,21)22/h2-9,11,29H,10H2,1H3,(H,26,28)
InChIKeyRETGATTXHQWSOT-UHFFFAOYSA-N
XLogP5.04
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.34
LogP ≤ 55.04
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 2-hydroxy-N-[4-nitro-3-(trifluoromethyl)phenyl]-4-phenyl-2-(trifluoromethyl)pentanamide?
The IUPAC name of 2-hydroxy-N-[4-nitro-3-(trifluoromethyl)phenyl]-4-phenyl-2-(trifluoromethyl)pentanamide (CID 10478916) is 2-hydroxy-N-[4-nitro-3-(trifluoromethyl)phenyl]-4-phenyl-2-(trifluoromethyl)pentanamide.
What is the SMILES notation for 2-hydroxy-N-[4-nitro-3-(trifluoromethyl)phenyl]-4-phenyl-2-(trifluoromethyl)pentanamide?
The canonical SMILES for 2-hydroxy-N-[4-nitro-3-(trifluoromethyl)phenyl]-4-phenyl-2-(trifluoromethyl)pentanamide is CC(CC(O)(C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(F)(F)F)c1ccccc1.
What is the InChIKey of 2-hydroxy-N-[4-nitro-3-(trifluoromethyl)phenyl]-4-phenyl-2-(trifluoromethyl)pentanamide?
The InChIKey is RETGATTXHQWSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6N2O4/c1-11(12-5-3-2-4-6-12)10-17(29,19(23,24)25)16(28)26-13-7-8-15(27(30)31)14(9-13)18(20,21)22/h2-9,11,29H,10H2,1H3,(H,26,28).
What are the key properties of 2-hydroxy-N-[4-nitro-3-(trifluoromethyl)phenyl]-4-phenyl-2-(trifluoromethyl)pentanamide?
2-hydroxy-N-[4-nitro-3-(trifluoromethyl)phenyl]-4-phenyl-2-(trifluoromethyl)pentanamide has a molecular weight of 450.34 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[4-nitro-3-(trifluoromethyl)phenyl]-4-phenyl-2-(trifluoromethyl)pentanamide is sourced from PubChem (CID 10478916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).