N-[4-(trifluoromethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide

C23H14F6N2O2 — CID 59804529

IUPACN-[4-(trifluoromethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)n1cc(-c2ccccc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C23H14F6N2O2/c24-22(25,26)19-7-3-1-5-16(19)18-13-31(20-8-4-2-6-17(18)20)21(32)30-14-9-11-15(12-10-14)33-23(27,28)29/h1-13H,(H,30,32)
InChIKeyWOZVGJMFFOHQSM-UHFFFAOYSA-N
MW464.37 g/mol
LogP7.31
Rot. Bonds3

About N-[4-(trifluoromethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide

N-[4-(trifluoromethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide (PubChem CID 59804529) has the molecular formula C23H14F6N2O2 and a molecular weight of 464.37 g/mol. Its IUPAC name is N-[4-(trifluoromethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide
PubChem CID59804529
Molecular FormulaC23H14F6N2O2
Molecular Weight464.37 g/mol
Exact Mass464.10
IUPAC NameN-[4-(trifluoromethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)n1cc(-c2ccccc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C23H14F6N2O2/c24-22(25,26)19-7-3-1-5-16(19)18-13-31(20-8-4-2-6-17(18)20)21(32)30-14-9-11-15(12-10-14)33-23(27,28)29/h1-13H,(H,30,32)
InChIKeyWOZVGJMFFOHQSM-UHFFFAOYSA-N
XLogP7.31
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.37
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-acetylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide
CID 25109396
3-(2-ethylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide
CID 59804527
3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide
CID 59804507
3-(2-tert-butylphenyl)-N-(4-methylphenyl)indole-1-carboxamide
CID 59804519
N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-(methoxymethyl)phenyl]indole-1-carboxamide;2-[4-(1,1-difluoroethoxy)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone
CID 123848222
1-[4-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 5000103
4-[1-[(4-methoxyphenyl)carbamoyl]-5-(trifluoromethoxy)indol-3-yl]-5-methyl-1,3-oxazole-2-carboxamide
CID 57262773
N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47193651
2-(1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711309
1-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 138583118
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988
[4-(trifluoromethoxy)phenyl]urea
CID 2779224

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide?
The IUPAC name of N-[4-(trifluoromethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide (CID 59804529) is N-[4-(trifluoromethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide?
The canonical SMILES for N-[4-(trifluoromethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)n1cc(-c2ccccc2C(F)(F)F)c2ccccc21.
What is the InChIKey of N-[4-(trifluoromethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide?
The InChIKey is WOZVGJMFFOHQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F6N2O2/c24-22(25,26)19-7-3-1-5-16(19)18-13-31(20-8-4-2-6-17(18)20)21(32)30-14-9-11-15(12-10-14)33-23(27,28)29/h1-13H,(H,30,32).
What are the key properties of N-[4-(trifluoromethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide?
N-[4-(trifluoromethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide has a molecular weight of 464.37 g/mol, XLogP of 7.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide is sourced from PubChem (CID 59804529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).