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

C15H12Cl2N2O4 — CID 2381183

IUPAC[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenoxyacetate
SMILESO=C(COC(=O)COc1ccccc1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N2O4/c16-10-6-12(17)15(18-7-10)19-13(20)8-23-14(21)9-22-11-4-2-1-3-5-11/h1-7H,8-9H2,(H,18,19,20)
InChIKeyQRCYLAQITLJMRI-UHFFFAOYSA-N
MW355.18 g/mol
LogP2.95
Rot. Bonds6

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

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenoxyacetate (PubChem CID 2381183) has the molecular formula C15H12Cl2N2O4 and a molecular weight of 355.18 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenoxyacetate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenoxyacetate
PubChem CID2381183
Molecular FormulaC15H12Cl2N2O4
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenoxyacetate
SMILESO=C(COC(=O)COc1ccccc1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N2O4/c16-10-6-12(17)15(18-7-10)19-13(20)8-23-14(21)9-22-11-4-2-1-3-5-11/h1-7H,8-9H2,(H,18,19,20)
InChIKeyQRCYLAQITLJMRI-UHFFFAOYSA-N
XLogP2.95
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloropyridin-2-yl)-2-phenoxyacetamide
CID 738246
N-(5-chloropyridin-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3155499
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 2129011
2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl 2-furoate
CID 2586389
2-(1,3-benzodioxol-5-yloxy)-N-(5-chloropyridin-2-yl)acetamide
CID 6461641
[1-[(3,5-Dichloropyridin-2-yl)amino]-1-oxopropan-2-yl] furan-2-carboxylate
CID 16303347
2-(2-Methoxy-phenoxy)-N-pyridin-2-yl-acetamide
CID 648158
2-(2,4-dichlorophenoxy)-N-pyridin-2-ylacetamide
CID 792334
2-[3-(5-Chloro-pyridin-2-yl)-ureido]-3,3,3-trifluoro-2-(4-fluoro-phenoxy)-propionic acid ethyl ester
CID 3514320
4-(2,4-dichlorophenoxy)-N-(pyridin-2-yl)butanamide
CID 1581462
2-Phenoxy-N-(2-pyridinyl)acetamide
CID 816671
2-phenoxy-N-(2-pyridinyl)butanamide
CID 644606

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenoxyacetate?
The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenoxyacetate (CID 2381183) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenoxyacetate.
What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenoxyacetate?
The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenoxyacetate is O=C(COC(=O)COc1ccccc1)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenoxyacetate?
The InChIKey is QRCYLAQITLJMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O4/c16-10-6-12(17)15(18-7-10)19-13(20)8-23-14(21)9-22-11-4-2-1-3-5-11/h1-7H,8-9H2,(H,18,19,20).
What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenoxyacetate?
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenoxyacetate has a molecular weight of 355.18 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 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-phenoxyacetate is sourced from PubChem (CID 2381183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).