N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide

C21H15F4N3O2 — CID 55765678

IUPACN-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)n1
InChIInChI=1S/C21H15F4N3O2/c1-12-5-4-8-18(26-12)20(30)28-17-10-9-13(11-15(17)21(23,24)25)27-19(29)14-6-2-3-7-16(14)22/h2-11H,1H3,(H,27,29)(H,28,30)
InChIKeyLYIQLKVOENQELZ-UHFFFAOYSA-N
MW417.36 g/mol
LogP5.05
Rot. Bonds4

About N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide

N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide (PubChem CID 55765678) has the molecular formula C21H15F4N3O2 and a molecular weight of 417.36 g/mol. Its IUPAC name is N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide
PubChem CID55765678
Molecular FormulaC21H15F4N3O2
Molecular Weight417.36 g/mol
Exact Mass417.11
IUPAC NameN-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)n1
InChIInChI=1S/C21H15F4N3O2/c1-12-5-4-8-18(26-12)20(30)28-17-10-9-13(11-15(17)21(23,24)25)27-19(29)14-6-2-3-7-16(14)22/h2-11H,1H3,(H,27,29)(H,28,30)
InChIKeyLYIQLKVOENQELZ-UHFFFAOYSA-N
XLogP5.05
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.36
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide 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

N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide
CID 32898423
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 55765460
5-bromo-2-fluoro-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide
CID 55765621
N-[4-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765682
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide
CID 52638821
2-fluoro-N-[4-[[4-(methylsulfanylmethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]benzamide
CID 55765716
5-bromo-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-methylfuran-2-carboxamide
CID 55776772
N-[4-[[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765591
6-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 115497606
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55765590
methyl 2-fluoro-5-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 32709892

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide (CID 55765678) is N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)n1.
What is the InChIKey of N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide?
The InChIKey is LYIQLKVOENQELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4N3O2/c1-12-5-4-8-18(26-12)20(30)28-17-10-9-13(11-15(17)21(23,24)25)27-19(29)14-6-2-3-7-16(14)22/h2-11H,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide?
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide has a molecular weight of 417.36 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 55765678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).