9,9,9-trifluoro-8-oxo-N-(3-phenylphenyl)nonanamide

C21H22F3NO2 — CID 25023793

IUPAC9,9,9-trifluoro-8-oxo-N-(3-phenylphenyl)nonanamide
SMILESO=C(CCCCCCC(=O)C(F)(F)F)Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C21H22F3NO2/c22-21(23,24)19(26)13-6-1-2-7-14-20(27)25-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15H,1-2,6-7,13-14H2,(H,25,27)
InChIKeyMURSHQSEWWUKLX-UHFFFAOYSA-N
MW377.41 g/mol
LogP5.76
Rot. Bonds9

About 9,9,9-trifluoro-8-oxo-N-(3-phenylphenyl)nonanamide

9,9,9-trifluoro-8-oxo-N-(3-phenylphenyl)nonanamide (PubChem CID 25023793) has the molecular formula C21H22F3NO2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 9,9,9-trifluoro-8-oxo-N-(3-phenylphenyl)nonanamide.

Molecular Properties

Compound Name9,9,9-trifluoro-8-oxo-N-(3-phenylphenyl)nonanamide
PubChem CID25023793
Molecular FormulaC21H22F3NO2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name9,9,9-trifluoro-8-oxo-N-(3-phenylphenyl)nonanamide
SMILESO=C(CCCCCCC(=O)C(F)(F)F)Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C21H22F3NO2/c22-21(23,24)19(26)13-6-1-2-7-14-20(27)25-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15H,1-2,6-7,13-14H2,(H,25,27)
InChIKeyMURSHQSEWWUKLX-UHFFFAOYSA-N
XLogP5.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.41
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,9,9-trifluoro-8-oxo-N-(3-phenylphenyl)nonanamide?
The IUPAC name of 9,9,9-trifluoro-8-oxo-N-(3-phenylphenyl)nonanamide (CID 25023793) is 9,9,9-trifluoro-8-oxo-N-(3-phenylphenyl)nonanamide.
What is the SMILES notation for 9,9,9-trifluoro-8-oxo-N-(3-phenylphenyl)nonanamide?
The canonical SMILES for 9,9,9-trifluoro-8-oxo-N-(3-phenylphenyl)nonanamide is O=C(CCCCCCC(=O)C(F)(F)F)Nc1cccc(-c2ccccc2)c1.
What is the InChIKey of 9,9,9-trifluoro-8-oxo-N-(3-phenylphenyl)nonanamide?
The InChIKey is MURSHQSEWWUKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3NO2/c22-21(23,24)19(26)13-6-1-2-7-14-20(27)25-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15H,1-2,6-7,13-14H2,(H,25,27).
What are the key properties of 9,9,9-trifluoro-8-oxo-N-(3-phenylphenyl)nonanamide?
9,9,9-trifluoro-8-oxo-N-(3-phenylphenyl)nonanamide has a molecular weight of 377.41 g/mol, XLogP of 5.76, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,9-trifluoro-8-oxo-N-(3-phenylphenyl)nonanamide is sourced from PubChem (CID 25023793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).