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

C23H24FN3O3 — CID 58694003

IUPACethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate
SMILESCCOC(=O)Nc1ccc(F)c(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)c1
InChIInChI=1S/C23H24FN3O3/c1-5-27-21-12-16(30-14(3)4)8-9-17(21)19(13-25)22(27)18-11-15(7-10-20(18)24)26-23(28)29-6-2/h7-12,14H,5-6H2,1-4H3,(H,26,28)
InChIKeyPXYUELXIYOCMRT-UHFFFAOYSA-N
MW409.46 g/mol
LogP5.69
Rot. Bonds6

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

ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate (PubChem CID 58694003) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate
PubChem CID58694003
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Nameethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate
SMILESCCOC(=O)Nc1ccc(F)c(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)c1
InChIInChI=1S/C23H24FN3O3/c1-5-27-21-12-16(30-14(3)4)8-9-17(21)19(13-25)22(27)18-11-15(7-10-20(18)24)26-23(28)29-6-2/h7-12,14H,5-6H2,1-4H3,(H,26,28)
InChIKeyPXYUELXIYOCMRT-UHFFFAOYSA-N
XLogP5.69
TPSA76.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.46
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate?
The IUPAC name of ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate (CID 58694003) is ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate.
What is the SMILES notation for ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate?
The canonical SMILES for ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate is CCOC(=O)Nc1ccc(F)c(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)c1.
What is the InChIKey of ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate?
The InChIKey is PXYUELXIYOCMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-5-27-21-12-16(30-14(3)4)8-9-17(21)19(13-25)22(27)18-11-15(7-10-20(18)24)26-23(28)29-6-2/h7-12,14H,5-6H2,1-4H3,(H,26,28).
What are the key properties of ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate?
ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate has a molecular weight of 409.46 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate is sourced from PubChem (CID 58694003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).