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

C24H26FN3O3 — CID 58694168

IUPACpropyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate
SMILESCCCOC(=O)Nc1ccc(F)c(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)c1
InChIInChI=1S/C24H26FN3O3/c1-5-11-30-24(29)27-16-7-10-21(25)19(12-16)23-20(14-26)18-9-8-17(31-15(3)4)13-22(18)28(23)6-2/h7-10,12-13,15H,5-6,11H2,1-4H3,(H,27,29)
InChIKeyJKDHRRMESBRPBR-UHFFFAOYSA-N
MW423.49 g/mol
LogP6.08
Rot. Bonds7

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

propyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate (PubChem CID 58694168) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is propyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate.

Molecular Properties

Compound Namepropyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate
PubChem CID58694168
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Namepropyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate
SMILESCCCOC(=O)Nc1ccc(F)c(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)c1
InChIInChI=1S/C24H26FN3O3/c1-5-11-30-24(29)27-16-7-10-21(25)19(12-16)23-20(14-26)18-9-8-17(31-15(3)4)13-22(18)28(23)6-2/h7-10,12-13,15H,5-6,11H2,1-4H3,(H,27,29)
InChIKeyJKDHRRMESBRPBR-UHFFFAOYSA-N
XLogP6.08
TPSA76.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.49
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate?
The IUPAC name of propyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate (CID 58694168) is propyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate.
What is the SMILES notation for propyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate?
The canonical SMILES for propyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate is CCCOC(=O)Nc1ccc(F)c(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)c1.
What is the InChIKey of propyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate?
The InChIKey is JKDHRRMESBRPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-5-11-30-24(29)27-16-7-10-21(25)19(12-16)23-20(14-26)18-9-8-17(31-15(3)4)13-22(18)28(23)6-2/h7-10,12-13,15H,5-6,11H2,1-4H3,(H,27,29).
What are the key properties of propyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate?
propyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate has a molecular weight of 423.49 g/mol, XLogP of 6.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate is sourced from PubChem (CID 58694168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).