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

C22H22FN3O3 — CID 25051659

IUPACpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate
SMILESCCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1F
InChIInChI=1S/C22H22FN3O3/c1-4-10-29-22(27)25-19-9-6-14(11-18(19)23)21-17(13-24)16-8-7-15(28-3)12-20(16)26(21)5-2/h6-9,11-12H,4-5,10H2,1-3H3,(H,25,27)
InChIKeyVGNFEHHUSRSXEZ-UHFFFAOYSA-N
MW395.43 g/mol
LogP5.31
Rot. Bonds6

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

propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate (PubChem CID 25051659) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate.

Molecular Properties

Compound Namepropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate
PubChem CID25051659
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Namepropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate
SMILESCCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1F
InChIInChI=1S/C22H22FN3O3/c1-4-10-29-22(27)25-19-9-6-14(11-18(19)23)21-17(13-24)16-8-7-15(28-3)12-20(16)26(21)5-2/h6-9,11-12H,4-5,10H2,1-3H3,(H,25,27)
InChIKeyVGNFEHHUSRSXEZ-UHFFFAOYSA-N
XLogP5.31
TPSA76.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.43
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate?
The IUPAC name of propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate (CID 25051659) is propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate.
What is the SMILES notation for propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate?
The canonical SMILES for propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate is CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1F.
What is the InChIKey of propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate?
The InChIKey is VGNFEHHUSRSXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-4-10-29-22(27)25-19-9-6-14(11-18(19)23)21-17(13-24)16-8-7-15(28-3)12-20(16)26(21)5-2/h6-9,11-12H,4-5,10H2,1-3H3,(H,25,27).
What are the key properties of propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate?
propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate has a molecular weight of 395.43 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate is sourced from PubChem (CID 25051659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).