N-(2-ethoxyphenyl)-5-fluoro-1H-indole-2-carboxamide

C17H15FN2O2 — CID 113207170

IUPACN-(2-ethoxyphenyl)-5-fluoro-1H-indole-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C17H15FN2O2/c1-2-22-16-6-4-3-5-14(16)20-17(21)15-10-11-9-12(18)7-8-13(11)19-15/h3-10,19H,2H2,1H3,(H,20,21)
InChIKeyJMFXZYNQNCYMPS-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.96
Rot. Bonds4

About N-(2-ethoxyphenyl)-5-fluoro-1H-indole-2-carboxamide

N-(2-ethoxyphenyl)-5-fluoro-1H-indole-2-carboxamide (PubChem CID 113207170) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-5-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-5-fluoro-1H-indole-2-carboxamide
PubChem CID113207170
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC NameN-(2-ethoxyphenyl)-5-fluoro-1H-indole-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C17H15FN2O2/c1-2-22-16-6-4-3-5-14(16)20-17(21)15-10-11-9-12(18)7-8-13(11)19-15/h3-10,19H,2H2,1H3,(H,20,21)
InChIKeyJMFXZYNQNCYMPS-UHFFFAOYSA-N
XLogP3.96
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethoxyphenyl)-6-methyl-1H-indole-2-carboxamide
CID 113207367
5-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide
CID 118425440
5-fluoro-N-[2-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide
CID 21014388
N-(2-propoxyphenyl)-1H-indole-2-carboxamide
CID 51145976
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 39984626
N'-(4-ethoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide
CID 134034269
ethyl N-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]carbamate
CID 60515778
N-(2-ethoxyphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206274
2-chloro-N-(2-ethoxyphenyl)-4-fluorobenzamide
CID 2591172
6-fluoro-N-(2-phenoxyphenyl)-1H-indole-2-carboxamide
CID 113207503
N-[2-(2-phenylethoxy)phenyl]-1H-indole-2-carboxamide
CID 55675130
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide
CID 46414828

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-5-fluoro-1H-indole-2-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-5-fluoro-1H-indole-2-carboxamide (CID 113207170) is N-(2-ethoxyphenyl)-5-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-5-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-5-fluoro-1H-indole-2-carboxamide is CCOc1ccccc1NC(=O)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of N-(2-ethoxyphenyl)-5-fluoro-1H-indole-2-carboxamide?
The InChIKey is JMFXZYNQNCYMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-2-22-16-6-4-3-5-14(16)20-17(21)15-10-11-9-12(18)7-8-13(11)19-15/h3-10,19H,2H2,1H3,(H,20,21).
What are the key properties of N-(2-ethoxyphenyl)-5-fluoro-1H-indole-2-carboxamide?
N-(2-ethoxyphenyl)-5-fluoro-1H-indole-2-carboxamide has a molecular weight of 298.32 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-5-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 113207170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).