2-[2-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid

C20H19FN2O4 — CID 120551295

IUPAC2-[2-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid
SMILESO=C(Cc1ccccc1C(=O)O)NC1CCCN(c2ccccc2F)C1=O
InChIInChI=1S/C20H19FN2O4/c21-15-8-3-4-10-17(15)23-11-5-9-16(19(23)25)22-18(24)12-13-6-1-2-7-14(13)20(26)27/h1-4,6-8,10,16H,5,9,11-12H2,(H,22,24)(H,26,27)
InChIKeyARGBHRUFAMVKFK-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.38
Rot. Bonds5

About 2-[2-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid

2-[2-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid (PubChem CID 120551295) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is 2-[2-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid
PubChem CID120551295
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name2-[2-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid
SMILESO=C(Cc1ccccc1C(=O)O)NC1CCCN(c2ccccc2F)C1=O
InChIInChI=1S/C20H19FN2O4/c21-15-8-3-4-10-17(15)23-11-5-9-16(19(23)25)22-18(24)12-13-6-1-2-7-14(13)20(26)27/h1-4,6-8,10,16H,5,9,11-12H2,(H,22,24)(H,26,27)
InChIKeyARGBHRUFAMVKFK-UHFFFAOYSA-N
XLogP2.38
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid?
The IUPAC name of 2-[2-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid (CID 120551295) is 2-[2-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid.
What is the SMILES notation for 2-[2-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid?
The canonical SMILES for 2-[2-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid is O=C(Cc1ccccc1C(=O)O)NC1CCCN(c2ccccc2F)C1=O.
What is the InChIKey of 2-[2-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid?
The InChIKey is ARGBHRUFAMVKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c21-15-8-3-4-10-17(15)23-11-5-9-16(19(23)25)22-18(24)12-13-6-1-2-7-14(13)20(26)27/h1-4,6-8,10,16H,5,9,11-12H2,(H,22,24)(H,26,27).
What are the key properties of 2-[2-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid?
2-[2-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid has a molecular weight of 370.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid is sourced from PubChem (CID 120551295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).