N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-dihydroindole-6-carboxamide

C18H15F3N2O3 — CID 137362109

IUPACN-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)C3)c(C(F)(F)F)c1
InChIInChI=1S/C18H15F3N2O3/c1-26-13-5-4-12(14(8-13)18(19,20)21)9-22-17(25)11-3-2-10-7-16(24)23-15(10)6-11/h2-6,8H,7,9H2,1H3,(H,22,25)(H,23,24)
InChIKeyFRHDVLRCSATTDG-UHFFFAOYSA-N
MW364.32 g/mol
LogP3.14
Rot. Bonds4

About N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-dihydroindole-6-carboxamide

N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-dihydroindole-6-carboxamide (PubChem CID 137362109) has the molecular formula C18H15F3N2O3 and a molecular weight of 364.32 g/mol. Its IUPAC name is N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound NameN-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
PubChem CID137362109
Molecular FormulaC18H15F3N2O3
Molecular Weight364.32 g/mol
Exact Mass364.10
IUPAC NameN-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)C3)c(C(F)(F)F)c1
InChIInChI=1S/C18H15F3N2O3/c1-26-13-5-4-12(14(8-13)18(19,20)21)9-22-17(25)11-3-2-10-7-16(24)23-15(10)6-11/h2-6,8H,7,9H2,1H3,(H,22,25)(H,23,24)
InChIKeyFRHDVLRCSATTDG-UHFFFAOYSA-N
XLogP3.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-dihydroindole-6-carboxamide?
The IUPAC name of N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-dihydroindole-6-carboxamide (CID 137362109) is N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-dihydroindole-6-carboxamide.
What is the SMILES notation for N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-dihydroindole-6-carboxamide?
The canonical SMILES for N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-dihydroindole-6-carboxamide is COc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)C3)c(C(F)(F)F)c1.
What is the InChIKey of N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-dihydroindole-6-carboxamide?
The InChIKey is FRHDVLRCSATTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3/c1-26-13-5-4-12(14(8-13)18(19,20)21)9-22-17(25)11-3-2-10-7-16(24)23-15(10)6-11/h2-6,8H,7,9H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-dihydroindole-6-carboxamide?
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-dihydroindole-6-carboxamide has a molecular weight of 364.32 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 137362109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).