(2-oxocyclohexyl) 2-[(3-fluorobenzoyl)amino]acetate

C15H16FNO4 — CID 4536636

IUPAC(2-oxocyclohexyl) 2-[(3-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1cccc(F)c1)OC1CCCCC1=O
InChIInChI=1S/C15H16FNO4/c16-11-5-3-4-10(8-11)15(20)17-9-14(19)21-13-7-2-1-6-12(13)18/h3-5,8,13H,1-2,6-7,9H2,(H,17,20)
InChIKeyPEVDONAQUMLZQH-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.61
Rot. Bonds4

About (2-oxocyclohexyl) 2-[(3-fluorobenzoyl)amino]acetate

(2-oxocyclohexyl) 2-[(3-fluorobenzoyl)amino]acetate (PubChem CID 4536636) has the molecular formula C15H16FNO4 and a molecular weight of 293.29 g/mol. Its IUPAC name is (2-oxocyclohexyl) 2-[(3-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-oxocyclohexyl) 2-[(3-fluorobenzoyl)amino]acetate
PubChem CID4536636
Molecular FormulaC15H16FNO4
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name(2-oxocyclohexyl) 2-[(3-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1cccc(F)c1)OC1CCCCC1=O
InChIInChI=1S/C15H16FNO4/c16-11-5-3-4-10(8-11)15(20)17-9-14(19)21-13-7-2-1-6-12(13)18/h3-5,8,13H,1-2,6-7,9H2,(H,17,20)
InChIKeyPEVDONAQUMLZQH-UHFFFAOYSA-N
XLogP1.61
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-oxocyclohexyl) 2-[(3-fluorobenzoyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-oxocyclohexyl) 2-[(3-fluorobenzoyl)amino]acetate?
The IUPAC name of (2-oxocyclohexyl) 2-[(3-fluorobenzoyl)amino]acetate (CID 4536636) is (2-oxocyclohexyl) 2-[(3-fluorobenzoyl)amino]acetate.
What is the SMILES notation for (2-oxocyclohexyl) 2-[(3-fluorobenzoyl)amino]acetate?
The canonical SMILES for (2-oxocyclohexyl) 2-[(3-fluorobenzoyl)amino]acetate is O=C(CNC(=O)c1cccc(F)c1)OC1CCCCC1=O.
What is the InChIKey of (2-oxocyclohexyl) 2-[(3-fluorobenzoyl)amino]acetate?
The InChIKey is PEVDONAQUMLZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4/c16-11-5-3-4-10(8-11)15(20)17-9-14(19)21-13-7-2-1-6-12(13)18/h3-5,8,13H,1-2,6-7,9H2,(H,17,20).
What are the key properties of (2-oxocyclohexyl) 2-[(3-fluorobenzoyl)amino]acetate?
(2-oxocyclohexyl) 2-[(3-fluorobenzoyl)amino]acetate has a molecular weight of 293.29 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxocyclohexyl) 2-[(3-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 4536636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).