(2-benzamido-2-oxoethyl) 6-chloropyridine-3-carboxylate

C15H11ClN2O4 — CID 16522588

IUPAC(2-benzamido-2-oxoethyl) 6-chloropyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc(Cl)nc1)NC(=O)c1ccccc1
InChIInChI=1S/C15H11ClN2O4/c16-12-7-6-11(8-17-12)15(21)22-9-13(19)18-14(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19,20)
InChIKeyNGDXMKXLOJYVBW-UHFFFAOYSA-N
MW318.72 g/mol
LogP1.85
Rot. Bonds4

About (2-benzamido-2-oxoethyl) 6-chloropyridine-3-carboxylate

(2-benzamido-2-oxoethyl) 6-chloropyridine-3-carboxylate (PubChem CID 16522588) has the molecular formula C15H11ClN2O4 and a molecular weight of 318.72 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 6-chloropyridine-3-carboxylate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 6-chloropyridine-3-carboxylate
PubChem CID16522588
Molecular FormulaC15H11ClN2O4
Molecular Weight318.72 g/mol
Exact Mass318.04
IUPAC Name(2-benzamido-2-oxoethyl) 6-chloropyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc(Cl)nc1)NC(=O)c1ccccc1
InChIInChI=1S/C15H11ClN2O4/c16-12-7-6-11(8-17-12)15(21)22-9-13(19)18-14(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19,20)
InChIKeyNGDXMKXLOJYVBW-UHFFFAOYSA-N
XLogP1.85
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.72
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2-benzamido-2-oxoethyl) 6-chloropyridine-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

Benzyl 2-chloropyridine-3-carboxylate
CID 2111911
Ethyl 6-chloronicotinate
CID 2799611
Nicotinic acid, (4-chlorophenyl)methyl ester
CID 533049
[2-(4-Methylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 847689
{[(4-Fluorophenyl)methyl]carbamoyl}methyl 2-chloropyridine-3-carboxylate
CID 2099259
2-(4-Methylpiperidin-1-yl)-2-oxoethyl 6-chloropyridine-3-carboxylate
CID 2355374
2-Chloro-3-pyridinecarboxylic acid [2-(4-fluorophenyl)-2-oxoethyl] ester
CID 2358682
[Phenyl(propan-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
CID 2371306
(4-Fluorophenyl)methyl 2-chloropyridine-3-carboxylate
CID 2392805
{[2-(Difluoromethoxy)phenyl]carbamoyl}methyl 6-chloropyridine-3-carboxylate
CID 2395390
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2419067
Methyl 2-[2-(6-chloropyridine-3-carbonyloxy)acetamido]acetate
CID 2423776

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 6-chloropyridine-3-carboxylate?
The IUPAC name of (2-benzamido-2-oxoethyl) 6-chloropyridine-3-carboxylate (CID 16522588) is (2-benzamido-2-oxoethyl) 6-chloropyridine-3-carboxylate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 6-chloropyridine-3-carboxylate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 6-chloropyridine-3-carboxylate is O=C(COC(=O)c1ccc(Cl)nc1)NC(=O)c1ccccc1.
What is the InChIKey of (2-benzamido-2-oxoethyl) 6-chloropyridine-3-carboxylate?
The InChIKey is NGDXMKXLOJYVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O4/c16-12-7-6-11(8-17-12)15(21)22-9-13(19)18-14(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19,20).
What are the key properties of (2-benzamido-2-oxoethyl) 6-chloropyridine-3-carboxylate?
(2-benzamido-2-oxoethyl) 6-chloropyridine-3-carboxylate has a molecular weight of 318.72 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 6-chloropyridine-3-carboxylate is sourced from PubChem (CID 16522588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).