N-ethyl-1-[(4-fluorophenyl)methyl]-2,3-dimethylindole-5-carboxamide

C20H21FN2O — CID 20940223

IUPACN-ethyl-1-[(4-fluorophenyl)methyl]-2,3-dimethylindole-5-carboxamide
SMILESCCNC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(F)cc1
InChIInChI=1S/C20H21FN2O/c1-4-22-20(24)16-7-10-19-18(11-16)13(2)14(3)23(19)12-15-5-8-17(21)9-6-15/h5-11H,4,12H2,1-3H3,(H,22,24)
InChIKeyITTWINDLPSBJLO-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.20
Rot. Bonds4

About N-ethyl-1-[(4-fluorophenyl)methyl]-2,3-dimethylindole-5-carboxamide

N-ethyl-1-[(4-fluorophenyl)methyl]-2,3-dimethylindole-5-carboxamide (PubChem CID 20940223) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is N-ethyl-1-[(4-fluorophenyl)methyl]-2,3-dimethylindole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[(4-fluorophenyl)methyl]-2,3-dimethylindole-5-carboxamide
PubChem CID20940223
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC NameN-ethyl-1-[(4-fluorophenyl)methyl]-2,3-dimethylindole-5-carboxamide
SMILESCCNC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(F)cc1
InChIInChI=1S/C20H21FN2O/c1-4-22-20(24)16-7-10-19-18(11-16)13(2)14(3)23(19)12-15-5-8-17(21)9-6-15/h5-11H,4,12H2,1-3H3,(H,22,24)
InChIKeyITTWINDLPSBJLO-UHFFFAOYSA-N
XLogP4.20
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(4-fluorophenyl)methyl]-2,3-dimethylindole-5-carboxamide?
The IUPAC name of N-ethyl-1-[(4-fluorophenyl)methyl]-2,3-dimethylindole-5-carboxamide (CID 20940223) is N-ethyl-1-[(4-fluorophenyl)methyl]-2,3-dimethylindole-5-carboxamide.
What is the SMILES notation for N-ethyl-1-[(4-fluorophenyl)methyl]-2,3-dimethylindole-5-carboxamide?
The canonical SMILES for N-ethyl-1-[(4-fluorophenyl)methyl]-2,3-dimethylindole-5-carboxamide is CCNC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(F)cc1.
What is the InChIKey of N-ethyl-1-[(4-fluorophenyl)methyl]-2,3-dimethylindole-5-carboxamide?
The InChIKey is ITTWINDLPSBJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c1-4-22-20(24)16-7-10-19-18(11-16)13(2)14(3)23(19)12-15-5-8-17(21)9-6-15/h5-11H,4,12H2,1-3H3,(H,22,24).
What are the key properties of N-ethyl-1-[(4-fluorophenyl)methyl]-2,3-dimethylindole-5-carboxamide?
N-ethyl-1-[(4-fluorophenyl)methyl]-2,3-dimethylindole-5-carboxamide has a molecular weight of 324.40 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(4-fluorophenyl)methyl]-2,3-dimethylindole-5-carboxamide is sourced from PubChem (CID 20940223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).