N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide

C23H14F4N2O2S — CID 52638821

IUPACN-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F)c1cc2ccccc2s1
InChIInChI=1S/C23H14F4N2O2S/c24-17-7-3-2-6-15(17)21(30)28-14-9-10-18(16(12-14)23(25,26)27)29-22(31)20-11-13-5-1-4-8-19(13)32-20/h1-12H,(H,28,30)(H,29,31)
InChIKeyZWIWGWRFWBHDGQ-UHFFFAOYSA-N
MW458.44 g/mol
LogP6.56
Rot. Bonds4

About N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide

N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 52638821) has the molecular formula C23H14F4N2O2S and a molecular weight of 458.44 g/mol. Its IUPAC name is N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide
PubChem CID52638821
Molecular FormulaC23H14F4N2O2S
Molecular Weight458.44 g/mol
Exact Mass458.07
IUPAC NameN-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F)c1cc2ccccc2s1
InChIInChI=1S/C23H14F4N2O2S/c24-17-7-3-2-6-15(17)21(30)28-14-9-10-18(16(12-14)23(25,26)27)29-22(31)20-11-13-5-1-4-8-19(13)32-20/h1-12H,(H,28,30)(H,29,31)
InChIKeyZWIWGWRFWBHDGQ-UHFFFAOYSA-N
XLogP6.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.44
LogP ≤ 56.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55765590
5-bromo-2-fluoro-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide
CID 55765621
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide
CID 55765678
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 55765460
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 112831169
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903
N-[4-[[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765591
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-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 55765324
2-fluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide
CID 90396008
N-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765741

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide (CID 52638821) is N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide is O=C(Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F)c1cc2ccccc2s1.
What is the InChIKey of N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is ZWIWGWRFWBHDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F4N2O2S/c24-17-7-3-2-6-15(17)21(30)28-14-9-10-18(16(12-14)23(25,26)27)29-22(31)20-11-13-5-1-4-8-19(13)32-20/h1-12H,(H,28,30)(H,29,31).
What are the key properties of N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide?
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 458.44 g/mol, XLogP of 6.56, 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]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 52638821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).