4-[(4E)-4-(1-fluoropropan-2-ylidene)-3-methyl-2-oxoindol-1-yl]-N-methyl-5-oxopentanamide

C18H21FN2O3 — CID 163257964

IUPAC4-[(4E)-4-(1-fluoropropan-2-ylidene)-3-methyl-2-oxoindol-1-yl]-N-methyl-5-oxopentanamide
SMILESCNC(=O)CCC(C=O)N1C(=O)C(C)=c2c1ccc/c2=C(/C)CF
InChIInChI=1S/C18H21FN2O3/c1-11(9-19)14-5-4-6-15-17(14)12(2)18(24)21(15)13(10-22)7-8-16(23)20-3/h4-6,10,13H,7-9H2,1-3H3,(H,20,23)/b14-11+
InChIKeyDVUUXUJYTMIYNQ-SDNWHVSQSA-N
MW332.38 g/mol
LogP0.44
Rot. Bonds6

About 4-[(4E)-4-(1-fluoropropan-2-ylidene)-3-methyl-2-oxoindol-1-yl]-N-methyl-5-oxopentanamide

4-[(4E)-4-(1-fluoropropan-2-ylidene)-3-methyl-2-oxoindol-1-yl]-N-methyl-5-oxopentanamide (PubChem CID 163257964) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 4-[(4E)-4-(1-fluoropropan-2-ylidene)-3-methyl-2-oxoindol-1-yl]-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Name4-[(4E)-4-(1-fluoropropan-2-ylidene)-3-methyl-2-oxoindol-1-yl]-N-methyl-5-oxopentanamide
PubChem CID163257964
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name4-[(4E)-4-(1-fluoropropan-2-ylidene)-3-methyl-2-oxoindol-1-yl]-N-methyl-5-oxopentanamide
SMILESCNC(=O)CCC(C=O)N1C(=O)C(C)=c2c1ccc/c2=C(/C)CF
InChIInChI=1S/C18H21FN2O3/c1-11(9-19)14-5-4-6-15-17(14)12(2)18(24)21(15)13(10-22)7-8-16(23)20-3/h4-6,10,13H,7-9H2,1-3H3,(H,20,23)/b14-11+
InChIKeyDVUUXUJYTMIYNQ-SDNWHVSQSA-N
XLogP0.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 50.44
H-Bond Donors ≤ 51
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 4-[(4E)-4-(1-fluoropropan-2-ylidene)-3-methyl-2-oxoindol-1-yl]-N-methyl-5-oxopentanamide?
The IUPAC name of 4-[(4E)-4-(1-fluoropropan-2-ylidene)-3-methyl-2-oxoindol-1-yl]-N-methyl-5-oxopentanamide (CID 163257964) is 4-[(4E)-4-(1-fluoropropan-2-ylidene)-3-methyl-2-oxoindol-1-yl]-N-methyl-5-oxopentanamide.
What is the SMILES notation for 4-[(4E)-4-(1-fluoropropan-2-ylidene)-3-methyl-2-oxoindol-1-yl]-N-methyl-5-oxopentanamide?
The canonical SMILES for 4-[(4E)-4-(1-fluoropropan-2-ylidene)-3-methyl-2-oxoindol-1-yl]-N-methyl-5-oxopentanamide is CNC(=O)CCC(C=O)N1C(=O)C(C)=c2c1ccc/c2=C(/C)CF.
What is the InChIKey of 4-[(4E)-4-(1-fluoropropan-2-ylidene)-3-methyl-2-oxoindol-1-yl]-N-methyl-5-oxopentanamide?
The InChIKey is DVUUXUJYTMIYNQ-SDNWHVSQSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-11(9-19)14-5-4-6-15-17(14)12(2)18(24)21(15)13(10-22)7-8-16(23)20-3/h4-6,10,13H,7-9H2,1-3H3,(H,20,23)/b14-11+.
What are the key properties of 4-[(4E)-4-(1-fluoropropan-2-ylidene)-3-methyl-2-oxoindol-1-yl]-N-methyl-5-oxopentanamide?
4-[(4E)-4-(1-fluoropropan-2-ylidene)-3-methyl-2-oxoindol-1-yl]-N-methyl-5-oxopentanamide has a molecular weight of 332.38 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4E)-4-(1-fluoropropan-2-ylidene)-3-methyl-2-oxoindol-1-yl]-N-methyl-5-oxopentanamide is sourced from PubChem (CID 163257964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).