N-(1-phenylethyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide

C18H15F3N2O — CID 123184701

IUPACN-(1-phenylethyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(C(F)(F)F)ccc2[nH]1)c1ccccc1
InChIInChI=1S/C18H15F3N2O/c1-11(12-5-3-2-4-6-12)22-17(24)16-10-13-9-14(18(19,20)21)7-8-15(13)23-16/h2-11,23H,1H3,(H,22,24)
InChIKeySEYVZZYHHFKMJS-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.68
Rot. Bonds3

About N-(1-phenylethyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide

N-(1-phenylethyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide (PubChem CID 123184701) has the molecular formula C18H15F3N2O and a molecular weight of 332.33 g/mol. Its IUPAC name is N-(1-phenylethyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide
PubChem CID123184701
Molecular FormulaC18H15F3N2O
Molecular Weight332.33 g/mol
Exact Mass332.11
IUPAC NameN-(1-phenylethyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(C(F)(F)F)ccc2[nH]1)c1ccccc1
InChIInChI=1S/C18H15F3N2O/c1-11(12-5-3-2-4-6-12)22-17(24)16-10-13-9-14(18(19,20)21)7-8-15(13)23-16/h2-11,23H,1H3,(H,22,24)
InChIKeySEYVZZYHHFKMJS-UHFFFAOYSA-N
XLogP4.68
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 ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-(1-phenylethyl)-5-(trifluoromethyl)-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

5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 4910187
5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7322417
5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7323927
N-(1-phenylethyl)-5-propan-2-yloxy-1H-indole-2-carboxamide
CID 123445942
formamide;N-(1-phenylethyl)-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1H-indole-2-carboxamide
CID 142201167
5-fluoro-N-[(1R)-1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide
CID 25487390
N-[1-(4-aminophenyl)ethyl]-1H-indole-2-carboxamide
CID 116650098
5-chloro-4-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 123567229
N,N-dimethyl-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 126644745
N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
CID 103856161
6-propan-2-yl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide
CID 141437359
[difluoro-[2-(methylcarbamoyl)-1H-indol-5-yl]methyl]phosphonic acid
CID 169170618

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide?
The IUPAC name of N-(1-phenylethyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide (CID 123184701) is N-(1-phenylethyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide is CC(NC(=O)c1cc2cc(C(F)(F)F)ccc2[nH]1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide?
The InChIKey is SEYVZZYHHFKMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O/c1-11(12-5-3-2-4-6-12)22-17(24)16-10-13-9-14(18(19,20)21)7-8-15(13)23-16/h2-11,23H,1H3,(H,22,24).
What are the key properties of N-(1-phenylethyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide?
N-(1-phenylethyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide has a molecular weight of 332.33 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 123184701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).