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

C28H20F6N2O — CID 58921650

IUPACN-[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)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C28H20F6N2O/c29-27(30,31)22-12-6-10-20(16-22)25(37)36-26(24-14-4-5-15-35-24,18-19-8-2-1-3-9-19)21-11-7-13-23(17-21)28(32,33)34/h1-17H,18H2,(H,36,37)
InChIKeyCSBAOGWMRBPFRE-UHFFFAOYSA-N
MW514.47 g/mol
LogP7.04
Rot. Bonds6

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

N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 58921650) has the molecular formula C28H20F6N2O and a molecular weight of 514.47 g/mol. Its IUPAC name is N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzamide
PubChem CID58921650
Molecular FormulaC28H20F6N2O
Molecular Weight514.47 g/mol
Exact Mass514.15
IUPAC NameN-[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)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C28H20F6N2O/c29-27(30,31)22-12-6-10-20(16-22)25(37)36-26(24-14-4-5-15-35-24,18-19-8-2-1-3-9-19)21-11-7-13-23(17-21)28(32,33)34/h1-17H,18H2,(H,36,37)
InChIKeyCSBAOGWMRBPFRE-UHFFFAOYSA-N
XLogP7.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.47
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzamide (CID 58921650) is N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 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)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is CSBAOGWMRBPFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F6N2O/c29-27(30,31)22-12-6-10-20(16-22)25(37)36-26(24-14-4-5-15-35-24,18-19-8-2-1-3-9-19)21-11-7-13-23(17-21)28(32,33)34/h1-17H,18H2,(H,36,37).
What are the key properties of N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzamide?
N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 514.47 g/mol, XLogP of 7.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 58921650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).