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

C18H15F3N2O — CID 171676575

IUPAC2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxamide
SMILESCc1cc2cc(C(=O)NCc3ccccc3C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C18H15F3N2O/c1-11-8-14-9-12(6-7-16(14)23-11)17(24)22-10-13-4-2-3-5-15(13)18(19,20)21/h2-9,23H,10H2,1H3,(H,22,24)
InChIKeyYIGROPBCFMDBED-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.43
Rot. Bonds3

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

2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxamide (PubChem CID 171676575) has the molecular formula C18H15F3N2O and a molecular weight of 332.33 g/mol. Its IUPAC name is 2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxamide
PubChem CID171676575
Molecular FormulaC18H15F3N2O
Molecular Weight332.33 g/mol
Exact Mass332.11
IUPAC Name2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxamide
SMILESCc1cc2cc(C(=O)NCc3ccccc3C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C18H15F3N2O/c1-11-8-14-9-12(6-7-16(14)23-11)17(24)22-10-13-4-2-3-5-15(13)18(19,20)21/h2-9,23H,10H2,1H3,(H,22,24)
InChIKeyYIGROPBCFMDBED-UHFFFAOYSA-N
XLogP4.43
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-methyl-1H-indole-5-carboxamide
CID 110695040
N-benzyl-2-methyl-1H-indole-5-carboxamide
CID 110695037
2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-5-carboxamide
CID 69267793
3-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 62879274
4-fluoro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096418
N-hydroxy-2-methyl-1H-indole-5-carboxamide
CID 129309500
1-(cyclohexylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 166630330
tert-butyl 5-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]-1,3-dihydroisoindole-2-carboxylate
CID 59536542
1-[(3-fluorophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
CID 166630481
5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 86166953
2-oxo-1-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-indole-5-carboxamide
CID 71840690
3-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096420

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxamide?
The IUPAC name of 2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxamide (CID 171676575) is 2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxamide is Cc1cc2cc(C(=O)NCc3ccccc3C(F)(F)F)ccc2[nH]1.
What is the InChIKey of 2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxamide?
The InChIKey is YIGROPBCFMDBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O/c1-11-8-14-9-12(6-7-16(14)23-11)17(24)22-10-13-4-2-3-5-15(13)18(19,20)21/h2-9,23H,10H2,1H3,(H,22,24).
What are the key properties of 2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxamide?
2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxamide has a molecular weight of 332.33 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 171676575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).