5-ethoxy-1-ethyl-N-[(2-fluorophenyl)methyl]-3-methylindole-2-carboxamide

C21H23FN2O2 — CID 110497845

IUPAC5-ethoxy-1-ethyl-N-[(2-fluorophenyl)methyl]-3-methylindole-2-carboxamide
SMILESCCOc1ccc2c(c1)c(C)c(C(=O)NCc1ccccc1F)n2CC
InChIInChI=1S/C21H23FN2O2/c1-4-24-19-11-10-16(26-5-2)12-17(19)14(3)20(24)21(25)23-13-15-8-6-7-9-18(15)22/h6-12H,4-5,13H2,1-3H3,(H,23,25)
InChIKeyPQCVBRNWACIAAJ-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.44
Rot. Bonds6

About 5-ethoxy-1-ethyl-N-[(2-fluorophenyl)methyl]-3-methylindole-2-carboxamide

5-ethoxy-1-ethyl-N-[(2-fluorophenyl)methyl]-3-methylindole-2-carboxamide (PubChem CID 110497845) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 5-ethoxy-1-ethyl-N-[(2-fluorophenyl)methyl]-3-methylindole-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-1-ethyl-N-[(2-fluorophenyl)methyl]-3-methylindole-2-carboxamide
PubChem CID110497845
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name5-ethoxy-1-ethyl-N-[(2-fluorophenyl)methyl]-3-methylindole-2-carboxamide
SMILESCCOc1ccc2c(c1)c(C)c(C(=O)NCc1ccccc1F)n2CC
InChIInChI=1S/C21H23FN2O2/c1-4-24-19-11-10-16(26-5-2)12-17(19)14(3)20(24)21(25)23-13-15-8-6-7-9-18(15)22/h6-12H,4-5,13H2,1-3H3,(H,23,25)
InChIKeyPQCVBRNWACIAAJ-UHFFFAOYSA-N
XLogP4.44
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxy-1-ethyl-3-methyl-N-(3-morpholin-4-ylpropyl)indole-2-carboxamide
CID 110497779
2-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 17068473
5-ethoxy-1-ethyl-N-(4-ethylphenyl)-3-methylindole-2-carboxamide
CID 110502331
N-[(2-fluorophenyl)methyl]-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
CID 110497642
2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-3-hydroxybutanoic acid
CID 110497830
5-ethoxy-1-ethyl-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)indole-2-carboxamide
CID 110504039
ethyl 2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-5-ethylthiophene-3-carboxylate
CID 110504013
5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethyl-3-methylindole-2-carboxamide
CID 110497706
N'-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]oxamide
CID 2989314
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
4-(4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211207
N-[2-(3-ethoxyphenoxy)ethyl]-2-(2-fluorophenyl)acetamide
CID 113100619

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-ethyl-N-[(2-fluorophenyl)methyl]-3-methylindole-2-carboxamide?
The IUPAC name of 5-ethoxy-1-ethyl-N-[(2-fluorophenyl)methyl]-3-methylindole-2-carboxamide (CID 110497845) is 5-ethoxy-1-ethyl-N-[(2-fluorophenyl)methyl]-3-methylindole-2-carboxamide.
What is the SMILES notation for 5-ethoxy-1-ethyl-N-[(2-fluorophenyl)methyl]-3-methylindole-2-carboxamide?
The canonical SMILES for 5-ethoxy-1-ethyl-N-[(2-fluorophenyl)methyl]-3-methylindole-2-carboxamide is CCOc1ccc2c(c1)c(C)c(C(=O)NCc1ccccc1F)n2CC.
What is the InChIKey of 5-ethoxy-1-ethyl-N-[(2-fluorophenyl)methyl]-3-methylindole-2-carboxamide?
The InChIKey is PQCVBRNWACIAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-4-24-19-11-10-16(26-5-2)12-17(19)14(3)20(24)21(25)23-13-15-8-6-7-9-18(15)22/h6-12H,4-5,13H2,1-3H3,(H,23,25).
What are the key properties of 5-ethoxy-1-ethyl-N-[(2-fluorophenyl)methyl]-3-methylindole-2-carboxamide?
5-ethoxy-1-ethyl-N-[(2-fluorophenyl)methyl]-3-methylindole-2-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-ethyl-N-[(2-fluorophenyl)methyl]-3-methylindole-2-carboxamide is sourced from PubChem (CID 110497845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).