2-fluoro-N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]benzamide

C19H13F4N3O — CID 113020153

IUPAC2-fluoro-N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccccc2C(F)(F)F)nc1)c1ccccc1F
InChIInChI=1S/C19H13F4N3O/c20-15-7-3-1-5-13(15)18(27)25-12-9-10-17(24-11-12)26-16-8-4-2-6-14(16)19(21,22)23/h1-11H,(H,24,26)(H,25,27)
InChIKeyWDSMXPCPPAPELT-UHFFFAOYSA-N
MW375.33 g/mol
LogP5.24
Rot. Bonds4

About 2-fluoro-N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]benzamide

2-fluoro-N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]benzamide (PubChem CID 113020153) has the molecular formula C19H13F4N3O and a molecular weight of 375.33 g/mol. Its IUPAC name is 2-fluoro-N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]benzamide
PubChem CID113020153
Molecular FormulaC19H13F4N3O
Molecular Weight375.33 g/mol
Exact Mass375.10
IUPAC Name2-fluoro-N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccccc2C(F)(F)F)nc1)c1ccccc1F
InChIInChI=1S/C19H13F4N3O/c20-15-7-3-1-5-13(15)18(27)25-12-9-10-17(24-11-12)26-16-8-4-2-6-14(16)19(21,22)23/h1-11H,(H,24,26)(H,25,27)
InChIKeyWDSMXPCPPAPELT-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 2-fluoro-N-[6-[2-(trifluoromethyl)anilino]-3-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

methyl 2-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113020612
N-[6-(2,3-dichloroanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113022429
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113020547
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 18419487
ethyl N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
CID 113020178
2-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide
CID 113034912
2-fluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide
CID 90396008
2-fluoro-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019493
N-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]thiophene-2-carboxamide
CID 1449346
5-(2-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109292424
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-fluorobenzamide
CID 113020947
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113018903

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]benzamide?
The IUPAC name of 2-fluoro-N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]benzamide (CID 113020153) is 2-fluoro-N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]benzamide?
The canonical SMILES for 2-fluoro-N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]benzamide is O=C(Nc1ccc(Nc2ccccc2C(F)(F)F)nc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]benzamide?
The InChIKey is WDSMXPCPPAPELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N3O/c20-15-7-3-1-5-13(15)18(27)25-12-9-10-17(24-11-12)26-16-8-4-2-6-14(16)19(21,22)23/h1-11H,(H,24,26)(H,25,27).
What are the key properties of 2-fluoro-N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]benzamide?
2-fluoro-N-[6-[2-(trifluoromethyl)anilino]-3-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 2-fluoro-N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]benzamide is sourced from PubChem (CID 113020153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).