3-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide

C19H13F4N3O — CID 113034913

IUPAC3-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccc(C(F)(F)F)cc2)cn1)c1cccc(F)c1
InChIInChI=1S/C19H13F4N3O/c20-14-3-1-2-12(10-14)18(27)26-17-9-8-16(11-24-17)25-15-6-4-13(5-7-15)19(21,22)23/h1-11,25H,(H,24,26,27)
InChIKeyZCTFEICCYGDTKH-UHFFFAOYSA-N
MW375.33 g/mol
LogP5.24
Rot. Bonds4

About 3-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide

3-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide (PubChem CID 113034913) has the molecular formula C19H13F4N3O and a molecular weight of 375.33 g/mol. Its IUPAC name is 3-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide
PubChem CID113034913
Molecular FormulaC19H13F4N3O
Molecular Weight375.33 g/mol
Exact Mass375.10
IUPAC Name3-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccc(C(F)(F)F)cc2)cn1)c1cccc(F)c1
InChIInChI=1S/C19H13F4N3O/c20-14-3-1-2-12(10-14)18(27)26-17-9-8-16(11-24-17)25-15-6-4-13(5-7-15)19(21,22)23/h1-11,25H,(H,24,26,27)
InChIKeyZCTFEICCYGDTKH-UHFFFAOYSA-N
XLogP5.24
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.33
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide
CID 113035868
N-[5-(3-chloroanilino)-2-pyridinyl]-3-fluorobenzamide
CID 113033286
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3-fluorobenzamide
CID 113032254
2-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide
CID 113034912
3-fluoro-N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]benzamide
CID 113036517
N-[5-(3-fluoroanilino)-2-pyridinyl]-4-methylbenzamide
CID 113035866
6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61318981
N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]thiophene-2-carboxamide
CID 113034907
N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109178460
N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109270045
3-fluoro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide
CID 113024101
N-[5-(3-fluoroanilino)-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113035879

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide?
The IUPAC name of 3-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide (CID 113034913) is 3-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide?
The canonical SMILES for 3-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide is O=C(Nc1ccc(Nc2ccc(C(F)(F)F)cc2)cn1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide?
The InChIKey is ZCTFEICCYGDTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N3O/c20-14-3-1-2-12(10-14)18(27)26-17-9-8-16(11-24-17)25-15-6-4-13(5-7-15)19(21,22)23/h1-11,25H,(H,24,26,27).
What are the key properties of 3-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide?
3-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide has a molecular weight of 375.33 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide is sourced from PubChem (CID 113034913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).