N-(1-methyl-2-oxo-3H-indol-5-yl)-3-(trifluoromethyl)benzamide

C17H13F3N2O2 — CID 18570780

IUPACN-(1-methyl-2-oxo-3H-indol-5-yl)-3-(trifluoromethyl)benzamide
SMILESCN1C(=O)Cc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C17H13F3N2O2/c1-22-14-6-5-13(8-11(14)9-15(22)23)21-16(24)10-3-2-4-12(7-10)17(18,19)20/h2-8H,9H2,1H3,(H,21,24)
InChIKeyTYMSPQWNFZLYDO-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.48
Rot. Bonds2

About N-(1-methyl-2-oxo-3H-indol-5-yl)-3-(trifluoromethyl)benzamide

N-(1-methyl-2-oxo-3H-indol-5-yl)-3-(trifluoromethyl)benzamide (PubChem CID 18570780) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is N-(1-methyl-2-oxo-3H-indol-5-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxo-3H-indol-5-yl)-3-(trifluoromethyl)benzamide
PubChem CID18570780
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC NameN-(1-methyl-2-oxo-3H-indol-5-yl)-3-(trifluoromethyl)benzamide
SMILESCN1C(=O)Cc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C17H13F3N2O2/c1-22-14-6-5-13(8-11(14)9-15(22)23)21-16(24)10-3-2-4-12(7-10)17(18,19)20/h2-8H,9H2,1H3,(H,21,24)
InChIKeyTYMSPQWNFZLYDO-UHFFFAOYSA-N
XLogP3.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 18571247
N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-(trifluoromethyl)benzamide
CID 7384427
N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl bromide
CID 115193255
N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl chloride
CID 115194357
3-(trifluoromethyl)-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)benzamide
CID 40887237
N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(trifluoromethyl)benzamide
CID 55732950
methyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate
CID 40805084
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 2684380
N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)benzamide
CID 104779331
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-(trifluoromethyl)benzamide
CID 27545964
N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 71449964

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxo-3H-indol-5-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-methyl-2-oxo-3H-indol-5-yl)-3-(trifluoromethyl)benzamide (CID 18570780) is N-(1-methyl-2-oxo-3H-indol-5-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-methyl-2-oxo-3H-indol-5-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-methyl-2-oxo-3H-indol-5-yl)-3-(trifluoromethyl)benzamide is CN1C(=O)Cc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc21.
What is the InChIKey of N-(1-methyl-2-oxo-3H-indol-5-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is TYMSPQWNFZLYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c1-22-14-6-5-13(8-11(14)9-15(22)23)21-16(24)10-3-2-4-12(7-10)17(18,19)20/h2-8H,9H2,1H3,(H,21,24).
What are the key properties of N-(1-methyl-2-oxo-3H-indol-5-yl)-3-(trifluoromethyl)benzamide?
N-(1-methyl-2-oxo-3H-indol-5-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 334.30 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxo-3H-indol-5-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 18570780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).