6-cyano-N-[(2S)-2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-2,3-dihydro-1H-indene-4-carboxamide

C22H21FN2O2 — CID 11222271

IUPAC6-cyano-N-[(2S)-2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-2,3-dihydro-1H-indene-4-carboxamide
SMILESCN(C[C@@H](CC=O)c1ccc(F)cc1)C(=O)c1cc(C#N)cc2c1CCC2
InChIInChI=1S/C22H21FN2O2/c1-25(14-18(9-10-26)16-5-7-19(23)8-6-16)22(27)21-12-15(13-24)11-17-3-2-4-20(17)21/h5-8,10-12,18H,2-4,9,14H2,1H3/t18-/m1/s1
InChIKeyHYFZVMGUWYOGCE-GOSISDBHSA-N
MW364.42 g/mol
LogP3.63
Rot. Bonds6

About 6-cyano-N-[(2S)-2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-2,3-dihydro-1H-indene-4-carboxamide

6-cyano-N-[(2S)-2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-2,3-dihydro-1H-indene-4-carboxamide (PubChem CID 11222271) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is 6-cyano-N-[(2S)-2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-2,3-dihydro-1H-indene-4-carboxamide.

Molecular Properties

Compound Name6-cyano-N-[(2S)-2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-2,3-dihydro-1H-indene-4-carboxamide
PubChem CID11222271
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Name6-cyano-N-[(2S)-2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-2,3-dihydro-1H-indene-4-carboxamide
SMILESCN(C[C@@H](CC=O)c1ccc(F)cc1)C(=O)c1cc(C#N)cc2c1CCC2
InChIInChI=1S/C22H21FN2O2/c1-25(14-18(9-10-26)16-5-7-19(23)8-6-16)22(27)21-12-15(13-24)11-17-3-2-4-20(17)21/h5-8,10-12,18H,2-4,9,14H2,1H3/t18-/m1/s1
InChIKeyHYFZVMGUWYOGCE-GOSISDBHSA-N
XLogP3.63
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[(2S)-2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-2,3-dihydro-1H-indene-4-carboxamide?
The IUPAC name of 6-cyano-N-[(2S)-2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-2,3-dihydro-1H-indene-4-carboxamide (CID 11222271) is 6-cyano-N-[(2S)-2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-2,3-dihydro-1H-indene-4-carboxamide.
What is the SMILES notation for 6-cyano-N-[(2S)-2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-2,3-dihydro-1H-indene-4-carboxamide?
The canonical SMILES for 6-cyano-N-[(2S)-2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-2,3-dihydro-1H-indene-4-carboxamide is CN(C[C@@H](CC=O)c1ccc(F)cc1)C(=O)c1cc(C#N)cc2c1CCC2.
What is the InChIKey of 6-cyano-N-[(2S)-2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-2,3-dihydro-1H-indene-4-carboxamide?
The InChIKey is HYFZVMGUWYOGCE-GOSISDBHSA-N. The full InChI is InChI=1S/C22H21FN2O2/c1-25(14-18(9-10-26)16-5-7-19(23)8-6-16)22(27)21-12-15(13-24)11-17-3-2-4-20(17)21/h5-8,10-12,18H,2-4,9,14H2,1H3/t18-/m1/s1.
What are the key properties of 6-cyano-N-[(2S)-2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-2,3-dihydro-1H-indene-4-carboxamide?
6-cyano-N-[(2S)-2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-2,3-dihydro-1H-indene-4-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[(2S)-2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-2,3-dihydro-1H-indene-4-carboxamide is sourced from PubChem (CID 11222271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).