[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-fluorobenzoate

C14H10ClFN2O3 — CID 2092342

IUPAC[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-fluorobenzoate
SMILESO=C(COC(=O)c1cccc(F)c1)Nc1cccnc1Cl
InChIInChI=1S/C14H10ClFN2O3/c15-13-11(5-2-6-17-13)18-12(19)8-21-14(20)9-3-1-4-10(16)7-9/h1-7H,8H2,(H,18,19)
InChIKeyZCZKAMBXXCOXDZ-UHFFFAOYSA-N
MW308.70 g/mol
LogP2.67
Rot. Bonds4

About [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-fluorobenzoate

[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-fluorobenzoate (PubChem CID 2092342) has the molecular formula C14H10ClFN2O3 and a molecular weight of 308.70 g/mol. Its IUPAC name is [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-fluorobenzoate.

Molecular Properties

Compound Name[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-fluorobenzoate
PubChem CID2092342
Molecular FormulaC14H10ClFN2O3
Molecular Weight308.70 g/mol
Exact Mass308.04
IUPAC Name[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-fluorobenzoate
SMILESO=C(COC(=O)c1cccc(F)c1)Nc1cccnc1Cl
InChIInChI=1S/C14H10ClFN2O3/c15-13-11(5-2-6-17-13)18-12(19)8-21-14(20)9-3-1-4-10(16)7-9/h1-7H,8H2,(H,18,19)
InChIKeyZCZKAMBXXCOXDZ-UHFFFAOYSA-N
XLogP2.67
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.70
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-fluorobenzoate 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

[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 2,4-difluorobenzoate
CID 2554738
[2-[(2-Chloro-3-pyridinyl)amino]-2-oxoethyl] 2-phenylacetate
CID 2093527
{[(4-Fluorophenyl)methyl]carbamoyl}methyl 2-chloropyridine-3-carboxylate
CID 2099259
[(4-Cyanophenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
CID 2428126
[2-[(2-Chloropyridin-3-yl)amino]-2-oxoethyl] 3,5-difluorobenzoate
CID 2571647
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 3-acetamidobenzoate
CID 2636191
(2-Benzamido-2-oxoethyl) pyridine-2-carboxylate
CID 7477399
N-3-pyridinyl-4-[(2,2,2-trifluoroethoxy)methyl]benzamide
CID 893036
2-Chloro-4-fluorobenzyl picolinate
CID 2214206
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 3-fluorobenzoate
CID 2520095
Nicotinic acid (3-chloro-phenylcarbamoyl)-methyl ester
CID 653526
Nicotinic acid (4-fluoro-phenylcarbamoyl)-methyl ester
CID 656057

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-fluorobenzoate?
The IUPAC name of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-fluorobenzoate (CID 2092342) is [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-fluorobenzoate.
What is the SMILES notation for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-fluorobenzoate?
The canonical SMILES for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-fluorobenzoate is O=C(COC(=O)c1cccc(F)c1)Nc1cccnc1Cl.
What is the InChIKey of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-fluorobenzoate?
The InChIKey is ZCZKAMBXXCOXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O3/c15-13-11(5-2-6-17-13)18-12(19)8-21-14(20)9-3-1-4-10(16)7-9/h1-7H,8H2,(H,18,19).
What are the key properties of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-fluorobenzoate?
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-fluorobenzoate has a molecular weight of 308.70 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-fluorobenzoate is sourced from PubChem (CID 2092342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).