N-[1-(5-chloro-2-pyridinyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide

C28H17Cl2F7N2O — CID 58920038

IUPACN-[1-(5-chloro-2-pyridinyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
SMILESO=C(NC(Cc1ccccc1)(c1ccc(Cl)cn1)c1cc(C(F)(F)F)ccc1Cl)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C28H17Cl2F7N2O/c29-19-8-11-24(38-15-19)26(14-16-4-2-1-3-5-16,20-13-18(27(32,33)34)7-9-22(20)30)39-25(40)17-6-10-23(31)21(12-17)28(35,36)37/h1-13,15H,14H2,(H,39,40)
InChIKeyHEBNFNYNUWRNFW-UHFFFAOYSA-N
MW601.35 g/mol
LogP8.48
Rot. Bonds6

About N-[1-(5-chloro-2-pyridinyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide

N-[1-(5-chloro-2-pyridinyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 58920038) has the molecular formula C28H17Cl2F7N2O and a molecular weight of 601.35 g/mol. Its IUPAC name is N-[1-(5-chloro-2-pyridinyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(5-chloro-2-pyridinyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
PubChem CID58920038
Molecular FormulaC28H17Cl2F7N2O
Molecular Weight601.35 g/mol
Exact Mass600.06
IUPAC NameN-[1-(5-chloro-2-pyridinyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
SMILESO=C(NC(Cc1ccccc1)(c1ccc(Cl)cn1)c1cc(C(F)(F)F)ccc1Cl)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C28H17Cl2F7N2O/c29-19-8-11-24(38-15-19)26(14-16-4-2-1-3-5-16,20-13-18(27(32,33)34)7-9-22(20)30)39-25(40)17-6-10-23(31)21(12-17)28(35,36)37/h1-13,15H,14H2,(H,39,40)
InChIKeyHEBNFNYNUWRNFW-UHFFFAOYSA-N
XLogP8.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.35
LogP ≤ 58.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(5-chloro-2-pyridinyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-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 N-[1-(5-chloro-2-pyridinyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(5-chloro-2-pyridinyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide (CID 58920038) is N-[1-(5-chloro-2-pyridinyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(5-chloro-2-pyridinyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(5-chloro-2-pyridinyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide is O=C(NC(Cc1ccccc1)(c1ccc(Cl)cn1)c1cc(C(F)(F)F)ccc1Cl)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-[1-(5-chloro-2-pyridinyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is HEBNFNYNUWRNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17Cl2F7N2O/c29-19-8-11-24(38-15-19)26(14-16-4-2-1-3-5-16,20-13-18(27(32,33)34)7-9-22(20)30)39-25(40)17-6-10-23(31)21(12-17)28(35,36)37/h1-13,15H,14H2,(H,39,40).
What are the key properties of N-[1-(5-chloro-2-pyridinyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide?
N-[1-(5-chloro-2-pyridinyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide has a molecular weight of 601.35 g/mol, XLogP of 8.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-2-pyridinyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 58920038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).