N-(3-phenylprop-2-ynyl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide

C19H13F3N2O2 — CID 87034067

IUPACN-(3-phenylprop-2-ynyl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide
SMILESO=C(NCC#Cc1ccccc1)c1cc2ccc(OC(F)(F)F)cc2[nH]1
InChIInChI=1S/C19H13F3N2O2/c20-19(21,22)26-15-9-8-14-11-17(24-16(14)12-15)18(25)23-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,24H,10H2,(H,23,25)
InChIKeyIPHMGASUUISJDA-UHFFFAOYSA-N
MW358.32 g/mol
LogP3.85
Rot. Bonds3

About N-(3-phenylprop-2-ynyl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide

N-(3-phenylprop-2-ynyl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide (PubChem CID 87034067) has the molecular formula C19H13F3N2O2 and a molecular weight of 358.32 g/mol. Its IUPAC name is N-(3-phenylprop-2-ynyl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-phenylprop-2-ynyl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide
PubChem CID87034067
Molecular FormulaC19H13F3N2O2
Molecular Weight358.32 g/mol
Exact Mass358.09
IUPAC NameN-(3-phenylprop-2-ynyl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide
SMILESO=C(NCC#Cc1ccccc1)c1cc2ccc(OC(F)(F)F)cc2[nH]1
InChIInChI=1S/C19H13F3N2O2/c20-19(21,22)26-15-9-8-14-11-17(24-16(14)12-15)18(25)23-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,24H,10H2,(H,23,25)
InChIKeyIPHMGASUUISJDA-UHFFFAOYSA-N
XLogP3.85
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(3-phenylprop-2-ynyl)-6-(trifluoromethoxy)-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

4-methyl-4-[[6-(trifluoromethoxy)-1H-indole-2-carbonyl]amino]pentanoic acid
CID 119204049
N-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 166236291
N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 86874853
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide
CID 90551749
N-[(2S)-1-amino-1-oxopropan-2-yl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 94652955
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 86881883
6-methoxy-N-(4-naphthalen-1-yloxybut-2-ynyl)-1H-indole-2-carboxamide
CID 90578229
4,5-dichloro-N-(3-phenylprop-2-ynyl)-1H-pyrrole-2-carboxamide
CID 78836902
2-(1H-indol-6-yl)-N-[3-[4-(trifluoromethoxy)phenyl]prop-2-ynyl]acetamide
CID 68825664
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-6-methoxy-1H-indole-2-carboxamide
CID 90580572
N-(2-benzamidoethyl)-6-methoxy-1H-indole-2-carboxamide
CID 134003045
cis-(1R,3S)-3-[[6-(trifluoromethoxy)-1H-indole-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677418

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylprop-2-ynyl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide?
The IUPAC name of N-(3-phenylprop-2-ynyl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide (CID 87034067) is N-(3-phenylprop-2-ynyl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(3-phenylprop-2-ynyl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide?
The canonical SMILES for N-(3-phenylprop-2-ynyl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide is O=C(NCC#Cc1ccccc1)c1cc2ccc(OC(F)(F)F)cc2[nH]1.
What is the InChIKey of N-(3-phenylprop-2-ynyl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide?
The InChIKey is IPHMGASUUISJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O2/c20-19(21,22)26-15-9-8-14-11-17(24-16(14)12-15)18(25)23-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,24H,10H2,(H,23,25).
What are the key properties of N-(3-phenylprop-2-ynyl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide?
N-(3-phenylprop-2-ynyl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide has a molecular weight of 358.32 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylprop-2-ynyl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide is sourced from PubChem (CID 87034067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).