1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile

C19H17FN2O2 — CID 11702566

IUPAC1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile
SMILESCCn1c(-c2ccc(OC)c(F)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C19H17FN2O2/c1-4-22-17-10-13(23-2)6-7-14(17)15(11-21)19(22)12-5-8-18(24-3)16(20)9-12/h5-10H,4H2,1-3H3
InChIKeyNGWLFWDLNCZISV-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.36
Rot. Bonds4

About 1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile

1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile (PubChem CID 11702566) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile
PubChem CID11702566
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile
SMILESCCn1c(-c2ccc(OC)c(F)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C19H17FN2O2/c1-4-22-17-10-13(23-2)6-7-14(17)15(11-21)19(22)12-5-8-18(24-3)16(20)9-12/h5-10H,4H2,1-3H3
InChIKeyNGWLFWDLNCZISV-UHFFFAOYSA-N
XLogP4.36
TPSA47.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile?
The IUPAC name of 1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile (CID 11702566) is 1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile.
What is the SMILES notation for 1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile?
The canonical SMILES for 1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile is CCn1c(-c2ccc(OC)c(F)c2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile?
The InChIKey is NGWLFWDLNCZISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-4-22-17-10-13(23-2)6-7-14(17)15(11-21)19(22)12-5-8-18(24-3)16(20)9-12/h5-10H,4H2,1-3H3.
What are the key properties of 1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile?
1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile has a molecular weight of 324.36 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile is sourced from PubChem (CID 11702566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).