2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1,2-dihydroinden-2-yl]-N-methylacetamide

C16H17FN2O3 — CID 123661333

IUPAC2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1,2-dihydroinden-2-yl]-N-methylacetamide
SMILESCNC(=O)CC1Cc2c(F)cc(N3CCCC3=O)cc2C1=O
InChIInChI=1S/C16H17FN2O3/c1-18-14(20)6-9-5-11-12(16(9)22)7-10(8-13(11)17)19-4-2-3-15(19)21/h7-9H,2-6H2,1H3,(H,18,20)
InChIKeySFQMPDYUWHVDTQ-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.44
Rot. Bonds3

About 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1,2-dihydroinden-2-yl]-N-methylacetamide

2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1,2-dihydroinden-2-yl]-N-methylacetamide (PubChem CID 123661333) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1,2-dihydroinden-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1,2-dihydroinden-2-yl]-N-methylacetamide
PubChem CID123661333
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1,2-dihydroinden-2-yl]-N-methylacetamide
SMILESCNC(=O)CC1Cc2c(F)cc(N3CCCC3=O)cc2C1=O
InChIInChI=1S/C16H17FN2O3/c1-18-14(20)6-9-5-11-12(16(9)22)7-10(8-13(11)17)19-4-2-3-15(19)21/h7-9H,2-6H2,1H3,(H,18,20)
InChIKeySFQMPDYUWHVDTQ-UHFFFAOYSA-N
XLogP1.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1,2-dihydroinden-2-yl]-N-methylacetamide?
The IUPAC name of 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1,2-dihydroinden-2-yl]-N-methylacetamide (CID 123661333) is 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1,2-dihydroinden-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1,2-dihydroinden-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1,2-dihydroinden-2-yl]-N-methylacetamide is CNC(=O)CC1Cc2c(F)cc(N3CCCC3=O)cc2C1=O.
What is the InChIKey of 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1,2-dihydroinden-2-yl]-N-methylacetamide?
The InChIKey is SFQMPDYUWHVDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-18-14(20)6-9-5-11-12(16(9)22)7-10(8-13(11)17)19-4-2-3-15(19)21/h7-9H,2-6H2,1H3,(H,18,20).
What are the key properties of 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1,2-dihydroinden-2-yl]-N-methylacetamide?
2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1,2-dihydroinden-2-yl]-N-methylacetamide has a molecular weight of 304.32 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1,2-dihydroinden-2-yl]-N-methylacetamide is sourced from PubChem (CID 123661333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).