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

C23H24FN3O3 — CID 58694295

IUPAC2-fluoroethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate
SMILESCCn1c(-c2cccc(NC(=O)OCCF)c2)c(C#N)c2ccc(OC(C)C)cc21
InChIInChI=1S/C23H24FN3O3/c1-4-27-21-13-18(30-15(2)3)8-9-19(21)20(14-25)22(27)16-6-5-7-17(12-16)26-23(28)29-11-10-24/h5-9,12-13,15H,4,10-11H2,1-3H3,(H,26,28)
InChIKeySYYPYOBVCVIYIF-UHFFFAOYSA-N
MW409.46 g/mol
LogP5.51
Rot. Bonds7

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

2-fluoroethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate (PubChem CID 58694295) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is 2-fluoroethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Name2-fluoroethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate
PubChem CID58694295
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name2-fluoroethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate
SMILESCCn1c(-c2cccc(NC(=O)OCCF)c2)c(C#N)c2ccc(OC(C)C)cc21
InChIInChI=1S/C23H24FN3O3/c1-4-27-21-13-18(30-15(2)3)8-9-19(21)20(14-25)22(27)16-6-5-7-17(12-16)26-23(28)29-11-10-24/h5-9,12-13,15H,4,10-11H2,1-3H3,(H,26,28)
InChIKeySYYPYOBVCVIYIF-UHFFFAOYSA-N
XLogP5.51
TPSA76.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.46
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate?
The IUPAC name of 2-fluoroethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate (CID 58694295) is 2-fluoroethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate.
What is the SMILES notation for 2-fluoroethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate?
The canonical SMILES for 2-fluoroethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate is CCn1c(-c2cccc(NC(=O)OCCF)c2)c(C#N)c2ccc(OC(C)C)cc21.
What is the InChIKey of 2-fluoroethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate?
The InChIKey is SYYPYOBVCVIYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-4-27-21-13-18(30-15(2)3)8-9-19(21)20(14-25)22(27)16-6-5-7-17(12-16)26-23(28)29-11-10-24/h5-9,12-13,15H,4,10-11H2,1-3H3,(H,26,28).
What are the key properties of 2-fluoroethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate?
2-fluoroethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate has a molecular weight of 409.46 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 58694295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).