2-fluoro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide

C19H18FN3O3 — CID 8746567

IUPAC2-fluoro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1F)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H18FN3O3/c20-16-5-2-1-4-15(16)19(26)21-12-17(24)22-13-7-9-14(10-8-13)23-11-3-6-18(23)25/h1-2,4-5,7-10H,3,6,11-12H2,(H,21,26)(H,22,24)
InChIKeyFWIAZZCSJSATKZ-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.32
Rot. Bonds5

About 2-fluoro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide

2-fluoro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide (PubChem CID 8746567) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-fluoro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
PubChem CID8746567
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name2-fluoro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1F)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H18FN3O3/c20-16-5-2-1-4-15(16)19(26)21-12-17(24)22-13-7-9-14(10-8-13)23-11-3-6-18(23)25/h1-2,4-5,7-10H,3,6,11-12H2,(H,21,26)(H,22,24)
InChIKeyFWIAZZCSJSATKZ-UHFFFAOYSA-N
XLogP2.32
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide (CID 8746567) is 2-fluoro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide is O=C(CNC(=O)c1ccccc1F)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 2-fluoro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide?
The InChIKey is FWIAZZCSJSATKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c20-16-5-2-1-4-15(16)19(26)21-12-17(24)22-13-7-9-14(10-8-13)23-11-3-6-18(23)25/h1-2,4-5,7-10H,3,6,11-12H2,(H,21,26)(H,22,24).
What are the key properties of 2-fluoro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide?
2-fluoro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide has a molecular weight of 355.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide is sourced from PubChem (CID 8746567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).