2-fluoro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-4-methoxybenzamide

C22H15F5N2O3 — CID 55764324

IUPAC2-fluoro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)c(F)c1
InChIInChI=1S/C22H15F5N2O3/c1-32-15-7-8-16(18(24)11-15)21(31)29-19-9-6-14(10-17(19)22(25,26)27)28-20(30)12-2-4-13(23)5-3-12/h2-11H,1H3,(H,28,30)(H,29,31)
InChIKeyZIBCIEQERIHQJG-UHFFFAOYSA-N
MW450.36 g/mol
LogP5.50
Rot. Bonds5

About 2-fluoro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-4-methoxybenzamide

2-fluoro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-4-methoxybenzamide (PubChem CID 55764324) has the molecular formula C22H15F5N2O3 and a molecular weight of 450.36 g/mol. Its IUPAC name is 2-fluoro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-4-methoxybenzamide
PubChem CID55764324
Molecular FormulaC22H15F5N2O3
Molecular Weight450.36 g/mol
Exact Mass450.10
IUPAC Name2-fluoro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)c(F)c1
InChIInChI=1S/C22H15F5N2O3/c1-32-15-7-8-16(18(24)11-15)21(31)29-19-9-6-14(10-17(19)22(25,26)27)28-20(30)12-2-4-13(23)5-3-12/h2-11H,1H3,(H,28,30)(H,29,31)
InChIKeyZIBCIEQERIHQJG-UHFFFAOYSA-N
XLogP5.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.36
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 4796910
4-fluoro-N-[4-[[2-(3-methoxyphenoxy)acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide
CID 112845502
4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 52545008
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
2-fluoro-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide
CID 103737180
N-[4-[(4-fluorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782346
N-[4-(2,4-dimethoxyanilino)phenyl]-4-fluorobenzamide
CID 112987930
N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-nitrobenzamide
CID 52598903
N-[4-amino-3-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 16770362
N-(4-fluorophenyl)-2-[(4-methoxybenzoyl)amino]benzamide
CID 1307045
2-[(4-fluorobenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 2227245
2-fluoro-N-[4-[[4-(methylsulfanylmethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]benzamide
CID 55765716

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-4-methoxybenzamide?
The IUPAC name of 2-fluoro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-4-methoxybenzamide (CID 55764324) is 2-fluoro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for 2-fluoro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-4-methoxybenzamide?
The canonical SMILES for 2-fluoro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)c(F)c1.
What is the InChIKey of 2-fluoro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-4-methoxybenzamide?
The InChIKey is ZIBCIEQERIHQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F5N2O3/c1-32-15-7-8-16(18(24)11-15)21(31)29-19-9-6-14(10-17(19)22(25,26)27)28-20(30)12-2-4-13(23)5-3-12/h2-11H,1H3,(H,28,30)(H,29,31).
What are the key properties of 2-fluoro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-4-methoxybenzamide?
2-fluoro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-4-methoxybenzamide has a molecular weight of 450.36 g/mol, XLogP of 5.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 55764324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).