[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate

C16H12Cl2FN3O4 — CID 2377530

IUPAC[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccccc1F)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl2FN3O4/c17-9-5-11(18)15(20-6-9)22-13(23)8-26-14(24)7-21-16(25)10-3-1-2-4-12(10)19/h1-6H,7-8H2,(H,21,25)(H,20,22,23)
InChIKeyVMTLCRBISNRABL-UHFFFAOYSA-N
MW400.19 g/mol
LogP2.44
Rot. Bonds6

About [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 2377530) has the molecular formula C16H12Cl2FN3O4 and a molecular weight of 400.19 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID2377530
Molecular FormulaC16H12Cl2FN3O4
Molecular Weight400.19 g/mol
Exact Mass399.02
IUPAC Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccccc1F)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl2FN3O4/c17-9-5-11(18)15(20-6-9)22-13(23)8-26-14(24)7-21-16(25)10-3-1-2-4-12(10)19/h1-6H,7-8H2,(H,21,25)(H,20,22,23)
InChIKeyVMTLCRBISNRABL-UHFFFAOYSA-N
XLogP2.44
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.19
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate with MolForge

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Related Compounds

[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 2,4-difluorobenzoate
CID 2554738
Benzamide, N-(5-chloro-2-pyridinyl)-2-fluoro-
CID 36851
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2102827
N-(5-chloropyridin-2-yl)-3-fluorobenzamide
CID 790317
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenylacetate
CID 2477493
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 4855756
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 3-fluorobenzoate
CID 2520095
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2084275
[2-[(2-Chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 2096899
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2129023
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 2375965
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] benzoate
CID 2493718

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate (CID 2377530) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate is O=C(COC(=O)CNC(=O)c1ccccc1F)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is VMTLCRBISNRABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FN3O4/c17-9-5-11(18)15(20-6-9)22-13(23)8-26-14(24)7-21-16(25)10-3-1-2-4-12(10)19/h1-6H,7-8H2,(H,21,25)(H,20,22,23).
What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate has a molecular weight of 400.19 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 2377530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).