N,2-diphenyl-5-(trifluoromethyl)indole-1-carboxamide

C22H15F3N2O — CID 25170544

IUPACN,2-diphenyl-5-(trifluoromethyl)indole-1-carboxamide
SMILESO=C(Nc1ccccc1)n1c(-c2ccccc2)cc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C22H15F3N2O/c23-22(24,25)17-11-12-19-16(13-17)14-20(15-7-3-1-4-8-15)27(19)21(28)26-18-9-5-2-6-10-18/h1-14H,(H,26,28)
InChIKeyJJVUMGZYJSUABW-UHFFFAOYSA-N
MW380.37 g/mol
LogP6.41
Rot. Bonds2

About N,2-diphenyl-5-(trifluoromethyl)indole-1-carboxamide

N,2-diphenyl-5-(trifluoromethyl)indole-1-carboxamide (PubChem CID 25170544) has the molecular formula C22H15F3N2O and a molecular weight of 380.37 g/mol. Its IUPAC name is N,2-diphenyl-5-(trifluoromethyl)indole-1-carboxamide.

Molecular Properties

Compound NameN,2-diphenyl-5-(trifluoromethyl)indole-1-carboxamide
PubChem CID25170544
Molecular FormulaC22H15F3N2O
Molecular Weight380.37 g/mol
Exact Mass380.11
IUPAC NameN,2-diphenyl-5-(trifluoromethyl)indole-1-carboxamide
SMILESO=C(Nc1ccccc1)n1c(-c2ccccc2)cc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C22H15F3N2O/c23-22(24,25)17-11-12-19-16(13-17)14-20(15-7-3-1-4-8-15)27(19)21(28)26-18-9-5-2-6-10-18/h1-14H,(H,26,28)
InChIKeyJJVUMGZYJSUABW-UHFFFAOYSA-N
XLogP6.41
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.37
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-phenyl-5-(trifluoromethyl)indol-1-yl] benzoate
CID 174625419
5-cyclopropyl-2-hydroxy-N-phenylindole-1-carboxamide
CID 57274159
1-(5-chloro-2-phenylindol-1-yl)ethanone
CID 14493114
2,2-difluoro-2-naphthalen-2-yl-N-phenylacetamide
CID 102584722
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
4-[(E)-[5-oxo-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-ylidene]methyl]-N-phenylpiperazine-1-carboxamide
CID 70158547
1-methyl-3-phenyl-5-(trifluoromethyl)indole-2-carbonyl chloride chloride
CID 157145690
1-[5,5-dimethyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-4-yl]-3-phenylurea
CID 10022519
1-(2-phenylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2421688
4-(phenylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639160
N-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 12999550
2-[1-methyl-5-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117121468

Frequently Asked Questions

What is the IUPAC name of N,2-diphenyl-5-(trifluoromethyl)indole-1-carboxamide?
The IUPAC name of N,2-diphenyl-5-(trifluoromethyl)indole-1-carboxamide (CID 25170544) is N,2-diphenyl-5-(trifluoromethyl)indole-1-carboxamide.
What is the SMILES notation for N,2-diphenyl-5-(trifluoromethyl)indole-1-carboxamide?
The canonical SMILES for N,2-diphenyl-5-(trifluoromethyl)indole-1-carboxamide is O=C(Nc1ccccc1)n1c(-c2ccccc2)cc2cc(C(F)(F)F)ccc21.
What is the InChIKey of N,2-diphenyl-5-(trifluoromethyl)indole-1-carboxamide?
The InChIKey is JJVUMGZYJSUABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O/c23-22(24,25)17-11-12-19-16(13-17)14-20(15-7-3-1-4-8-15)27(19)21(28)26-18-9-5-2-6-10-18/h1-14H,(H,26,28).
What are the key properties of N,2-diphenyl-5-(trifluoromethyl)indole-1-carboxamide?
N,2-diphenyl-5-(trifluoromethyl)indole-1-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 6.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diphenyl-5-(trifluoromethyl)indole-1-carboxamide is sourced from PubChem (CID 25170544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).