N-[2-(4-fluorophenyl)ethyl]-3,6-dimethyl-1H-indole-2-carboxamide

C19H19FN2O — CID 113204989

IUPACN-[2-(4-fluorophenyl)ethyl]-3,6-dimethyl-1H-indole-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)NCCc3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C19H19FN2O/c1-12-3-8-16-13(2)18(22-17(16)11-12)19(23)21-10-9-14-4-6-15(20)7-5-14/h3-8,11,22H,9-10H2,1-2H3,(H,21,23)
InChIKeyQPRSLFSLHIOWMN-UHFFFAOYSA-N
MW310.37 g/mol
LogP3.90
Rot. Bonds4

About N-[2-(4-fluorophenyl)ethyl]-3,6-dimethyl-1H-indole-2-carboxamide

N-[2-(4-fluorophenyl)ethyl]-3,6-dimethyl-1H-indole-2-carboxamide (PubChem CID 113204989) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3,6-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3,6-dimethyl-1H-indole-2-carboxamide
PubChem CID113204989
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3,6-dimethyl-1H-indole-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)NCCc3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C19H19FN2O/c1-12-3-8-16-13(2)18(22-17(16)11-12)19(23)21-10-9-14-4-6-15(20)7-5-14/h3-8,11,22H,9-10H2,1-2H3,(H,21,23)
InChIKeyQPRSLFSLHIOWMN-UHFFFAOYSA-N
XLogP3.90
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,6-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-indole-2-carboxamide
CID 113205000
6-fluoro-3-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide
CID 113205161
N-[(4-chlorophenyl)methyl]-3,6-dimethyl-1H-indole-2-carboxamide
CID 113204978
6-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1H-indole-2-carboxamide
CID 113205294
N-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 36704078
3,6-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 113204984
N-cyclopropyl-6-fluoro-3-methyl-1H-indole-2-carboxamide
CID 113205089
N-[2-(4-fluorophenyl)ethyl]-2-(3-methylphenyl)acetamide
CID 6468714
3,5-dimethyl-N-[2-(methylsulfamoyl)ethyl]-1H-indole-2-carboxamide
CID 70730395
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
CID 3946122
5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31069458
N-benzyl-N,3,6-trimethyl-1H-indole-2-carboxamide
CID 113204974

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3,6-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3,6-dimethyl-1H-indole-2-carboxamide (CID 113204989) is N-[2-(4-fluorophenyl)ethyl]-3,6-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3,6-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3,6-dimethyl-1H-indole-2-carboxamide is Cc1ccc2c(C)c(C(=O)NCCc3ccc(F)cc3)[nH]c2c1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3,6-dimethyl-1H-indole-2-carboxamide?
The InChIKey is QPRSLFSLHIOWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-12-3-8-16-13(2)18(22-17(16)11-12)19(23)21-10-9-14-4-6-15(20)7-5-14/h3-8,11,22H,9-10H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3,6-dimethyl-1H-indole-2-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-3,6-dimethyl-1H-indole-2-carboxamide has a molecular weight of 310.37 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-3,6-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 113204989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).