6-fluoro-3-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide

C19H19FN2O — CID 113205161

IUPAC6-fluoro-3-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NCCCc2ccccc2)[nH]c2cc(F)ccc12
InChIInChI=1S/C19H19FN2O/c1-13-16-10-9-15(20)12-17(16)22-18(13)19(23)21-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,22H,5,8,11H2,1H3,(H,21,23)
InChIKeyGWDZLUMYMPMUFD-UHFFFAOYSA-N
MW310.37 g/mol
LogP3.98
Rot. Bonds5

About 6-fluoro-3-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide

6-fluoro-3-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide (PubChem CID 113205161) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is 6-fluoro-3-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-3-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide
PubChem CID113205161
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC Name6-fluoro-3-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NCCCc2ccccc2)[nH]c2cc(F)ccc12
InChIInChI=1S/C19H19FN2O/c1-13-16-10-9-15(20)12-17(16)22-18(13)19(23)21-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,22H,5,8,11H2,1H3,(H,21,23)
InChIKeyGWDZLUMYMPMUFD-UHFFFAOYSA-N
XLogP3.98
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-fluoro-3-methyl-N-(3-phenylpropyl)-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

N-[2-(4-fluorophenyl)ethyl]-3,6-dimethyl-1H-indole-2-carboxamide
CID 113204989
6-fluoro-N-(3-phenylpropyl)-1H-indole-2-carboxamide
CID 113207440
N-cyclopropyl-6-fluoro-3-methyl-1H-indole-2-carboxamide
CID 113205089
4-methyl-2-oxo-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide
CID 24939140
N-(2-chlorophenyl)-6-fluoro-3-methyl-1H-indole-2-carboxamide
CID 113205194
N-(2-bromophenyl)-6-fluoro-3-methyl-1H-indole-2-carboxamide
CID 113205230
N-butyl-6-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110848225
6-fluoro-N-(3-fluoro-3-methylcyclobutyl)-3-methyl-1H-indole-2-carboxamide
CID 166318181
1-(6-fluoro-1H-indol-3-yl)-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 113211109
3,6-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-indole-2-carboxamide
CID 113205000
6-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1H-indole-2-carboxamide
CID 113205294
N-[3-(4-fluorophenyl)propyl]-3,4-dimethylbenzamide
CID 100670175

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide?
The IUPAC name of 6-fluoro-3-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide (CID 113205161) is 6-fluoro-3-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-fluoro-3-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-fluoro-3-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide is Cc1c(C(=O)NCCCc2ccccc2)[nH]c2cc(F)ccc12.
What is the InChIKey of 6-fluoro-3-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide?
The InChIKey is GWDZLUMYMPMUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-13-16-10-9-15(20)12-17(16)22-18(13)19(23)21-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,22H,5,8,11H2,1H3,(H,21,23).
What are the key properties of 6-fluoro-3-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide?
6-fluoro-3-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide has a molecular weight of 310.37 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 113205161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).