4,4,4-trifluoro-N-naphthalen-1-yl-3-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]butanamide

C23H17F6NO2 — CID 10321654

IUPAC4,4,4-trifluoro-N-naphthalen-1-yl-3-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]butanamide
SMILESO=C(CC(=O)C(F)(F)F)N(CCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12
InChIInChI=1S/C23H17F6NO2/c24-22(25,26)17-8-3-5-15(13-17)11-12-30(21(32)14-20(31)23(27,28)29)19-10-4-7-16-6-1-2-9-18(16)19/h1-10,13H,11-12,14H2
InChIKeyLDVVVNLIRAGVPH-UHFFFAOYSA-N
MW453.38 g/mol
LogP5.96
Rot. Bonds6

About 4,4,4-trifluoro-N-naphthalen-1-yl-3-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]butanamide

4,4,4-trifluoro-N-naphthalen-1-yl-3-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]butanamide (PubChem CID 10321654) has the molecular formula C23H17F6NO2 and a molecular weight of 453.38 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-naphthalen-1-yl-3-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-naphthalen-1-yl-3-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]butanamide
PubChem CID10321654
Molecular FormulaC23H17F6NO2
Molecular Weight453.38 g/mol
Exact Mass453.12
IUPAC Name4,4,4-trifluoro-N-naphthalen-1-yl-3-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]butanamide
SMILESO=C(CC(=O)C(F)(F)F)N(CCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12
InChIInChI=1S/C23H17F6NO2/c24-22(25,26)17-8-3-5-15(13-17)11-12-30(21(32)14-20(31)23(27,28)29)19-10-4-7-16-6-1-2-9-18(16)19/h1-10,13H,11-12,14H2
InChIKeyLDVVVNLIRAGVPH-UHFFFAOYSA-N
XLogP5.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.38
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 4,4,4-trifluoro-N-naphthalen-1-yl-3-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-naphthalen-1-yl-3-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-naphthalen-1-yl-3-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]butanamide (CID 10321654) is 4,4,4-trifluoro-N-naphthalen-1-yl-3-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-naphthalen-1-yl-3-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-naphthalen-1-yl-3-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]butanamide is O=C(CC(=O)C(F)(F)F)N(CCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12.
What is the InChIKey of 4,4,4-trifluoro-N-naphthalen-1-yl-3-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]butanamide?
The InChIKey is LDVVVNLIRAGVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F6NO2/c24-22(25,26)17-8-3-5-15(13-17)11-12-30(21(32)14-20(31)23(27,28)29)19-10-4-7-16-6-1-2-9-18(16)19/h1-10,13H,11-12,14H2.
What are the key properties of 4,4,4-trifluoro-N-naphthalen-1-yl-3-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]butanamide?
4,4,4-trifluoro-N-naphthalen-1-yl-3-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]butanamide has a molecular weight of 453.38 g/mol, XLogP of 5.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-naphthalen-1-yl-3-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]butanamide is sourced from PubChem (CID 10321654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).