N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

C20H12F6N2O — CID 11661499

IUPACN-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2ncccc2C(F)(F)F)cc1
InChIInChI=1S/C20H12F6N2O/c21-19(22,23)14-7-9-15(10-8-14)28-18(29)13-5-3-12(4-6-13)17-16(20(24,25)26)2-1-11-27-17/h1-11H,(H,28,29)
InChIKeyYOCQLGXBNLZHFA-UHFFFAOYSA-N
MW410.32 g/mol
LogP6.04
Rot. Bonds3

About N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 11661499) has the molecular formula C20H12F6N2O and a molecular weight of 410.32 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID11661499
Molecular FormulaC20H12F6N2O
Molecular Weight410.32 g/mol
Exact Mass410.09
IUPAC NameN-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2ncccc2C(F)(F)F)cc1
InChIInChI=1S/C20H12F6N2O/c21-19(22,23)14-7-9-15(10-8-14)28-18(29)13-5-3-12(4-6-13)17-16(20(24,25)26)2-1-11-27-17/h1-11H,(H,28,29)
InChIKeyYOCQLGXBNLZHFA-UHFFFAOYSA-N
XLogP6.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.32
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (CID 11661499) is N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2ncccc2C(F)(F)F)cc1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is YOCQLGXBNLZHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F6N2O/c21-19(22,23)14-7-9-15(10-8-14)28-18(29)13-5-3-12(4-6-13)17-16(20(24,25)26)2-1-11-27-17/h1-11H,(H,28,29).
What are the key properties of N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 410.32 g/mol, XLogP of 6.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 11661499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).