[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

C18H19ClN2O4 — CID 2497721

IUPAC[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O4/c1-2-24-17-15(4-3-10-21-17)18(23)25-12-16(22)20-11-9-13-5-7-14(19)8-6-13/h3-8,10H,2,9,11-12H2,1H3,(H,20,22)
InChIKeyBDBGHOWMTVLUBA-UHFFFAOYSA-N
MW362.81 g/mol
LogP2.65
Rot. Bonds8

About [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (PubChem CID 2497721) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
PubChem CID2497721
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O4/c1-2-24-17-15(4-3-10-21-17)18(23)25-12-16(22)20-11-9-13-5-7-14(19)8-6-13/h3-8,10H,2,9,11-12H2,1H3,(H,20,22)
InChIKeyBDBGHOWMTVLUBA-UHFFFAOYSA-N
XLogP2.65
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2545117
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2359410
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate
CID 2624513
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561758
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 9013807
(2-benzamido-2-oxoethyl) 2-ethoxypyridine-3-carboxylate
CID 7998156
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 55424719
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2497885
[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 55315049
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate
CID 8983699
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2497957
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-chloropyridine-3-carboxylate
CID 8864600

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The IUPAC name of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (CID 2497721) is [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The InChIKey is BDBGHOWMTVLUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-2-24-17-15(4-3-10-21-17)18(23)25-12-16(22)20-11-9-13-5-7-14(19)8-6-13/h3-8,10H,2,9,11-12H2,1H3,(H,20,22).
What are the key properties of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate has a molecular weight of 362.81 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 2497721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).