2-oxo-1-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-indole-5-carboxamide

C20H19F3N2O2 — CID 71840690

IUPAC2-oxo-1-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-indole-5-carboxamide
SMILESCCCN1C(=O)Cc2cc(C(=O)NCc3ccccc3C(F)(F)F)ccc21
InChIInChI=1S/C20H19F3N2O2/c1-2-9-25-17-8-7-13(10-15(17)11-18(25)26)19(27)24-12-14-5-3-4-6-16(14)20(21,22)23/h3-8,10H,2,9,11-12H2,1H3,(H,24,27)
InChIKeyWZSAAOOJFYHSSC-UHFFFAOYSA-N
MW376.38 g/mol
LogP3.93
Rot. Bonds5

About 2-oxo-1-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-indole-5-carboxamide

2-oxo-1-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-indole-5-carboxamide (PubChem CID 71840690) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 2-oxo-1-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-indole-5-carboxamide.

Molecular Properties

Compound Name2-oxo-1-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-indole-5-carboxamide
PubChem CID71840690
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name2-oxo-1-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-indole-5-carboxamide
SMILESCCCN1C(=O)Cc2cc(C(=O)NCc3ccccc3C(F)(F)F)ccc21
InChIInChI=1S/C20H19F3N2O2/c1-2-9-25-17-8-7-13(10-15(17)11-18(25)26)19(27)24-12-14-5-3-4-6-16(14)20(21,22)23/h3-8,10H,2,9,11-12H2,1H3,(H,24,27)
InChIKeyWZSAAOOJFYHSSC-UHFFFAOYSA-N
XLogP3.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-2-oxo-N-propyl-3H-indole-5-carboxamide
CID 71840741
(1R)-3-oxo-2-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,4-dihydroisoquinoline-1-carboxamide
CID 95096232
tert-butyl 5-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]-1,3-dihydroisoindole-2-carboxylate
CID 59536542
2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxamide
CID 171676575
3-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 62879274
N,1-bis[(4-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxamide
CID 71840635
2-[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 25266234
1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 35762734
(5aS)-5-ethyl-12-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
CID 99759078
3,4-dimethyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide
CID 110730027
N-[(3,5-difluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxamide
CID 71840611
N-benzyl-1,3-dioxo-2-propylisoindole-5-carboxamide
CID 3391897

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-indole-5-carboxamide?
The IUPAC name of 2-oxo-1-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-indole-5-carboxamide (CID 71840690) is 2-oxo-1-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-indole-5-carboxamide.
What is the SMILES notation for 2-oxo-1-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-indole-5-carboxamide?
The canonical SMILES for 2-oxo-1-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-indole-5-carboxamide is CCCN1C(=O)Cc2cc(C(=O)NCc3ccccc3C(F)(F)F)ccc21.
What is the InChIKey of 2-oxo-1-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-indole-5-carboxamide?
The InChIKey is WZSAAOOJFYHSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c1-2-9-25-17-8-7-13(10-15(17)11-18(25)26)19(27)24-12-14-5-3-4-6-16(14)20(21,22)23/h3-8,10H,2,9,11-12H2,1H3,(H,24,27).
What are the key properties of 2-oxo-1-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-indole-5-carboxamide?
2-oxo-1-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-indole-5-carboxamide has a molecular weight of 376.38 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-indole-5-carboxamide is sourced from PubChem (CID 71840690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).