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

C19H17F3N2O2 — CID 122192201

IUPACN-methyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)C1Cc2ccccc2N1C(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O2/c1-23-18(26)16-11-13-4-2-3-5-15(13)24(16)17(25)10-12-6-8-14(9-7-12)19(20,21)22/h2-9,16H,10-11H2,1H3,(H,23,26)
InChIKeyDFNOESMYFUUISG-UHFFFAOYSA-N
MW362.35 g/mol
LogP2.95
Rot. Bonds3

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

N-methyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 122192201) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is N-methyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]-2,3-dihydroindole-2-carboxamide
PubChem CID122192201
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC NameN-methyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)C1Cc2ccccc2N1C(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O2/c1-23-18(26)16-11-13-4-2-3-5-15(13)24(16)17(25)10-12-6-8-14(9-7-12)19(20,21)22/h2-9,16H,10-11H2,1H3,(H,23,26)
InChIKeyDFNOESMYFUUISG-UHFFFAOYSA-N
XLogP2.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of N-methyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]-2,3-dihydroindole-2-carboxamide (CID 122192201) is N-methyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for N-methyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for N-methyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]-2,3-dihydroindole-2-carboxamide is CNC(=O)C1Cc2ccccc2N1C(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is DFNOESMYFUUISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-23-18(26)16-11-13-4-2-3-5-15(13)24(16)17(25)10-12-6-8-14(9-7-12)19(20,21)22/h2-9,16H,10-11H2,1H3,(H,23,26).
What are the key properties of N-methyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]-2,3-dihydroindole-2-carboxamide?
N-methyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 362.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 122192201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).