6-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide

C17H13F3N2O — CID 113207376

IUPAC6-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C17H13F3N2O/c1-10-2-3-11-9-15(22-14(11)8-10)16(23)21-13-6-4-12(5-7-13)17(18,19)20/h2-9,22H,1H3,(H,21,23)
InChIKeyAYPODANNJOZYPD-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.75
Rot. Bonds2

About 6-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide

6-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide (PubChem CID 113207376) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is 6-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
PubChem CID113207376
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name6-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C17H13F3N2O/c1-10-2-3-11-9-15(22-14(11)8-10)16(23)21-13-6-4-12(5-7-13)17(18,19)20/h2-9,22H,1H3,(H,21,23)
InChIKeyAYPODANNJOZYPD-UHFFFAOYSA-N
XLogP4.75
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 6-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 134002788
5-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 11067605
N-(2,6-dimethylphenyl)-6-methyl-1H-indole-2-carboxamide
CID 113207344
N-[4-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-6-methyl-1H-indole-2-carboxamide
CID 123184653
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 7777818
N-(3-methoxyphenyl)-6-methyl-1H-indole-2-carboxamide
CID 113207365
methyl 3-[(6-methyl-1H-indole-2-carbonyl)amino]benzoate
CID 113207378
5-methyl-N-phenyl-1H-indole-2-carboxamide
CID 3254922
N-(4-acetylphenyl)-5-methyl-1H-indole-2-carboxamide
CID 110861116
N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide
CID 177170209
6-methyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847855

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide (CID 113207376) is 6-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide is Cc1ccc2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c2c1.
What is the InChIKey of 6-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
The InChIKey is AYPODANNJOZYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O/c1-10-2-3-11-9-15(22-14(11)8-10)16(23)21-13-6-4-12(5-7-13)17(18,19)20/h2-9,22H,1H3,(H,21,23).
What are the key properties of 6-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
6-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide has a molecular weight of 318.30 g/mol, XLogP of 4.75, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 113207376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).