4-fluoro-N-methyl-N-(2-phenoxyethyl)-1H-indole-2-carboxamide

C18H17FN2O2 — CID 31401161

IUPAC4-fluoro-N-methyl-N-(2-phenoxyethyl)-1H-indole-2-carboxamide
SMILESCN(CCOc1ccccc1)C(=O)c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C18H17FN2O2/c1-21(10-11-23-13-6-3-2-4-7-13)18(22)17-12-14-15(19)8-5-9-16(14)20-17/h2-9,12,20H,10-11H2,1H3
InChIKeyJQQQYGYZUCAEBV-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.46
Rot. Bonds5

About 4-fluoro-N-methyl-N-(2-phenoxyethyl)-1H-indole-2-carboxamide

4-fluoro-N-methyl-N-(2-phenoxyethyl)-1H-indole-2-carboxamide (PubChem CID 31401161) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-(2-phenoxyethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-(2-phenoxyethyl)-1H-indole-2-carboxamide
PubChem CID31401161
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name4-fluoro-N-methyl-N-(2-phenoxyethyl)-1H-indole-2-carboxamide
SMILESCN(CCOc1ccccc1)C(=O)c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C18H17FN2O2/c1-21(10-11-23-13-6-3-2-4-7-13)18(22)17-12-14-15(19)8-5-9-16(14)20-17/h2-9,12,20H,10-11H2,1H3
InChIKeyJQQQYGYZUCAEBV-UHFFFAOYSA-N
XLogP3.46
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide
CID 36711727
4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)-1H-indole-2-carboxamide
CID 110852607
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide
CID 55580692
N,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-indole-2-carboxamide
CID 36753631
4-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide
CID 36702819
4-amino-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide
CID 61114831
4-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide
CID 109388525
4-acetyl-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide
CID 24546550
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 18119993
3-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 115645434
2-bromo-N-methyl-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 103751913
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-1H-indazole-3-carboxamide
CID 18119662

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-(2-phenoxyethyl)-1H-indole-2-carboxamide?
The IUPAC name of 4-fluoro-N-methyl-N-(2-phenoxyethyl)-1H-indole-2-carboxamide (CID 31401161) is 4-fluoro-N-methyl-N-(2-phenoxyethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-(2-phenoxyethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 4-fluoro-N-methyl-N-(2-phenoxyethyl)-1H-indole-2-carboxamide is CN(CCOc1ccccc1)C(=O)c1cc2c(F)cccc2[nH]1.
What is the InChIKey of 4-fluoro-N-methyl-N-(2-phenoxyethyl)-1H-indole-2-carboxamide?
The InChIKey is JQQQYGYZUCAEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-21(10-11-23-13-6-3-2-4-7-13)18(22)17-12-14-15(19)8-5-9-16(14)20-17/h2-9,12,20H,10-11H2,1H3.
What are the key properties of 4-fluoro-N-methyl-N-(2-phenoxyethyl)-1H-indole-2-carboxamide?
4-fluoro-N-methyl-N-(2-phenoxyethyl)-1H-indole-2-carboxamide has a molecular weight of 312.34 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-(2-phenoxyethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 31401161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).