[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

C16H14Cl2N2O4 — CID 2342826

IUPAC[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2N2O4/c17-11-4-3-10(13(18)8-11)5-7-19-14(21)9-24-16(23)12-2-1-6-20-15(12)22/h1-4,6,8H,5,7,9H2,(H,19,21)(H,20,22)
InChIKeyKUASVSKCSVPSLD-UHFFFAOYSA-N
MW369.20 g/mol
LogP2.20
Rot. Bonds6

About [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 2342826) has the molecular formula C16H14Cl2N2O4 and a molecular weight of 369.20 g/mol. Its IUPAC name is [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
PubChem CID2342826
Molecular FormulaC16H14Cl2N2O4
Molecular Weight369.20 g/mol
Exact Mass368.03
IUPAC Name[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2N2O4/c17-11-4-3-10(13(18)8-11)5-7-19-14(21)9-24-16(23)12-2-1-6-20-15(12)22/h1-4,6,8H,5,7,9H2,(H,19,21)(H,20,22)
InChIKeyKUASVSKCSVPSLD-UHFFFAOYSA-N
XLogP2.20
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 2407854
[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] (E)-3-(3-chlorophenyl)prop-2-enoate
CID 2413544
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 2430332
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 4879964
[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 2415668
[2-oxo-2-(3-phenylpropylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2367211
[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2410366
[2-[2-(2,4-Dichlorophenyl)ethylamino]-2-oxoethyl] 3-(4-fluorophenyl)prop-2-enoate
CID 3660309
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
CID 7485353
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 7767114
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 7779831
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 7867774

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (CID 2342826) is [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is O=C(COC(=O)c1ccc[nH]c1=O)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is KUASVSKCSVPSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O4/c17-11-4-3-10(13(18)8-11)5-7-19-14(21)9-24-16(23)12-2-1-6-20-15(12)22/h1-4,6,8H,5,7,9H2,(H,19,21)(H,20,22).
What are the key properties of [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 369.20 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 2342826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).