ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate

C21H20FN3O3 — CID 25051658

IUPACethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate
SMILESCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1F
InChIInChI=1S/C21H20FN3O3/c1-4-25-19-11-14(27-3)7-8-15(19)16(12-23)20(25)13-6-9-18(17(22)10-13)24-21(26)28-5-2/h6-11H,4-5H2,1-3H3,(H,24,26)
InChIKeySGTPHGSWHVREDC-UHFFFAOYSA-N
MW381.41 g/mol
LogP4.92
Rot. Bonds5

About ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate

ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate (PubChem CID 25051658) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate
PubChem CID25051658
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Nameethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate
SMILESCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1F
InChIInChI=1S/C21H20FN3O3/c1-4-25-19-11-14(27-3)7-8-15(19)16(12-23)20(25)13-6-9-18(17(22)10-13)24-21(26)28-5-2/h6-11H,4-5H2,1-3H3,(H,24,26)
InChIKeySGTPHGSWHVREDC-UHFFFAOYSA-N
XLogP4.92
TPSA76.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate?
The IUPAC name of ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate (CID 25051658) is ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate.
What is the SMILES notation for ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate?
The canonical SMILES for ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate is CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1F.
What is the InChIKey of ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate?
The InChIKey is SGTPHGSWHVREDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-4-25-19-11-14(27-3)7-8-15(19)16(12-23)20(25)13-6-9-18(17(22)10-13)24-21(26)28-5-2/h6-11H,4-5H2,1-3H3,(H,24,26).
What are the key properties of ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate?
ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate has a molecular weight of 381.41 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate is sourced from PubChem (CID 25051658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).