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

C16H11F3N2O3 — CID 118444181

IUPAC2-oxo-N-[4-(trifluoromethoxy)phenyl]-3H-indole-1-carboxamide
SMILESO=C1Cc2ccccc2N1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H11F3N2O3/c17-16(18,19)24-12-7-5-11(6-8-12)20-15(23)21-13-4-2-1-3-10(13)9-14(21)22/h1-8H,9H2,(H,20,23)
InChIKeyFFOCVVRPUQAWOC-UHFFFAOYSA-N
MW336.27 g/mol
LogP3.71
Rot. Bonds2

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

2-oxo-N-[4-(trifluoromethoxy)phenyl]-3H-indole-1-carboxamide (PubChem CID 118444181) has the molecular formula C16H11F3N2O3 and a molecular weight of 336.27 g/mol. Its IUPAC name is 2-oxo-N-[4-(trifluoromethoxy)phenyl]-3H-indole-1-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[4-(trifluoromethoxy)phenyl]-3H-indole-1-carboxamide
PubChem CID118444181
Molecular FormulaC16H11F3N2O3
Molecular Weight336.27 g/mol
Exact Mass336.07
IUPAC Name2-oxo-N-[4-(trifluoromethoxy)phenyl]-3H-indole-1-carboxamide
SMILESO=C1Cc2ccccc2N1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H11F3N2O3/c17-16(18,19)24-12-7-5-11(6-8-12)20-15(23)21-13-4-2-1-3-10(13)9-14(21)22/h1-8H,9H2,(H,20,23)
InChIKeyFFOCVVRPUQAWOC-UHFFFAOYSA-N
XLogP3.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47193651
(2R)-2-(2,3-dihydroindol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 7998746
4-benzhydryl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 2822264
2-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 51195005
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
6-methyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 170101789
(3S,5R)-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 51944394
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111097787
(2R)-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9076169
(2S)-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9076172
(2S,6S)-2,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]morpholine-4-carboxamide
CID 51427241

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[4-(trifluoromethoxy)phenyl]-3H-indole-1-carboxamide?
The IUPAC name of 2-oxo-N-[4-(trifluoromethoxy)phenyl]-3H-indole-1-carboxamide (CID 118444181) is 2-oxo-N-[4-(trifluoromethoxy)phenyl]-3H-indole-1-carboxamide.
What is the SMILES notation for 2-oxo-N-[4-(trifluoromethoxy)phenyl]-3H-indole-1-carboxamide?
The canonical SMILES for 2-oxo-N-[4-(trifluoromethoxy)phenyl]-3H-indole-1-carboxamide is O=C1Cc2ccccc2N1C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-oxo-N-[4-(trifluoromethoxy)phenyl]-3H-indole-1-carboxamide?
The InChIKey is FFOCVVRPUQAWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O3/c17-16(18,19)24-12-7-5-11(6-8-12)20-15(23)21-13-4-2-1-3-10(13)9-14(21)22/h1-8H,9H2,(H,20,23).
What are the key properties of 2-oxo-N-[4-(trifluoromethoxy)phenyl]-3H-indole-1-carboxamide?
2-oxo-N-[4-(trifluoromethoxy)phenyl]-3H-indole-1-carboxamide has a molecular weight of 336.27 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[4-(trifluoromethoxy)phenyl]-3H-indole-1-carboxamide is sourced from PubChem (CID 118444181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).