4-fluoro-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzamide

C28H19F7N2O — CID 58921084

IUPAC4-fluoro-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ccccn1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C28H19F7N2O/c29-23-13-12-19(15-22(23)28(33,34)35)25(38)37-26(24-11-4-5-14-36-24,17-18-7-2-1-3-8-18)20-9-6-10-21(16-20)27(30,31)32/h1-16H,17H2,(H,37,38)
InChIKeyUQTUXPTVOSKJFL-UHFFFAOYSA-N
MW532.46 g/mol
LogP7.17
Rot. Bonds6

About 4-fluoro-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzamide

4-fluoro-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 58921084) has the molecular formula C28H19F7N2O and a molecular weight of 532.46 g/mol. Its IUPAC name is 4-fluoro-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzamide
PubChem CID58921084
Molecular FormulaC28H19F7N2O
Molecular Weight532.46 g/mol
Exact Mass532.14
IUPAC Name4-fluoro-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ccccn1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C28H19F7N2O/c29-23-13-12-19(15-22(23)28(33,34)35)25(38)37-26(24-11-4-5-14-36-24,17-18-7-2-1-3-8-18)20-9-6-10-21(16-20)27(30,31)32/h1-16H,17H2,(H,37,38)
InChIKeyUQTUXPTVOSKJFL-UHFFFAOYSA-N
XLogP7.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.46
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzamide 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-fluoro-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-fluoro-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzamide (CID 58921084) is 4-fluoro-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-fluoro-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzamide is O=C(NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ccccn1)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 4-fluoro-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is UQTUXPTVOSKJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19F7N2O/c29-23-13-12-19(15-22(23)28(33,34)35)25(38)37-26(24-11-4-5-14-36-24,17-18-7-2-1-3-8-18)20-9-6-10-21(16-20)27(30,31)32/h1-16H,17H2,(H,37,38).
What are the key properties of 4-fluoro-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzamide?
4-fluoro-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 532.46 g/mol, XLogP of 7.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 58921084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).