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

C20H16F3N3O — CID 6398883

IUPAC2-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NCc1ccncc1
InChIInChI=1S/C20H16F3N3O/c21-20(22,23)15-4-3-5-16(12-15)26-19(27)17-6-1-2-7-18(17)25-13-14-8-10-24-11-9-14/h1-12,25H,13H2,(H,26,27)
InChIKeyBLAFVGLBBOPRLP-UHFFFAOYSA-N
MW371.36 g/mol
LogP4.96
Rot. Bonds5

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

2-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 6398883) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is 2-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID6398883
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name2-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NCc1ccncc1
InChIInChI=1S/C20H16F3N3O/c21-20(22,23)15-4-3-5-16(12-15)26-19(27)17-6-1-2-7-18(17)25-13-14-8-10-24-11-9-14/h1-12,25H,13H2,(H,26,27)
InChIKeyBLAFVGLBBOPRLP-UHFFFAOYSA-N
XLogP4.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]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 2-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 6398883) is 2-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NCc1ccncc1.
What is the InChIKey of 2-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is BLAFVGLBBOPRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O/c21-20(22,23)15-4-3-5-16(12-15)26-19(27)17-6-1-2-7-18(17)25-13-14-8-10-24-11-9-14/h1-12,25H,13H2,(H,26,27).
What are the key properties of 2-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide?
2-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 371.36 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 6398883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).