[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate

C17H16Cl2N2O4 — CID 8986919

IUPAC[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate
SMILESO=C(COC(=O)Cn1ccccc1=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O4/c18-13-5-4-12(14(19)9-13)6-7-20-15(22)11-25-17(24)10-21-8-2-1-3-16(21)23/h1-5,8-9H,6-7,10-11H2,(H,20,22)
InChIKeyQKRPDKPJNLCXPX-UHFFFAOYSA-N
MW383.23 g/mol
LogP2.06
Rot. Bonds7

About [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate

[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate (PubChem CID 8986919) has the molecular formula C17H16Cl2N2O4 and a molecular weight of 383.23 g/mol. Its IUPAC name is [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Name[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate
PubChem CID8986919
Molecular FormulaC17H16Cl2N2O4
Molecular Weight383.23 g/mol
Exact Mass382.05
IUPAC Name[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate
SMILESO=C(COC(=O)Cn1ccccc1=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O4/c18-13-5-4-12(14(19)9-13)6-7-20-15(22)11-25-17(24)10-21-8-2-1-3-16(21)23/h1-5,8-9H,6-7,10-11H2,(H,20,22)
InChIKeyQKRPDKPJNLCXPX-UHFFFAOYSA-N
XLogP2.06
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.23
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 8608301
[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2,6-difluorobenzoate
CID 2515179
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-oxo-1-pyridinyl)acetate
CID 8986851
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 2713418
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 112775878
[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 2436140
N-[2-(2-methylphenyl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51177305
N-[2-(2,4-dichlorophenyl)ethyl]-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000163
2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000291
[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate
CID 2617983
2-[3-(2,4-dichlorophenyl)propyl]-1-ethyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 111720297
[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate
CID 8736014

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate?
The IUPAC name of [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate (CID 8986919) is [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate?
The canonical SMILES for [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate is O=C(COC(=O)Cn1ccccc1=O)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate?
The InChIKey is QKRPDKPJNLCXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O4/c18-13-5-4-12(14(19)9-13)6-7-20-15(22)11-25-17(24)10-21-8-2-1-3-16(21)23/h1-5,8-9H,6-7,10-11H2,(H,20,22).
What are the key properties of [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate?
[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate has a molecular weight of 383.23 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 8986919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).