[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 4-chloropyridine-2-carboxylate

C18H17ClN2O5 — CID 8804340

IUPAC[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 4-chloropyridine-2-carboxylate
SMILESCC(C)OC(=O)c1ccc(NC(=O)COC(=O)c2cc(Cl)ccn2)cc1
InChIInChI=1S/C18H17ClN2O5/c1-11(2)26-17(23)12-3-5-14(6-4-12)21-16(22)10-25-18(24)15-9-13(19)7-8-20-15/h3-9,11H,10H2,1-2H3,(H,21,22)
InChIKeyYJZWHLIKSCUOJU-UHFFFAOYSA-N
MW376.80 g/mol
LogP3.10
Rot. Bonds6

About [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 4-chloropyridine-2-carboxylate

[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 4-chloropyridine-2-carboxylate (PubChem CID 8804340) has the molecular formula C18H17ClN2O5 and a molecular weight of 376.80 g/mol. Its IUPAC name is [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 4-chloropyridine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 4-chloropyridine-2-carboxylate
PubChem CID8804340
Molecular FormulaC18H17ClN2O5
Molecular Weight376.80 g/mol
Exact Mass376.08
IUPAC Name[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 4-chloropyridine-2-carboxylate
SMILESCC(C)OC(=O)c1ccc(NC(=O)COC(=O)c2cc(Cl)ccn2)cc1
InChIInChI=1S/C18H17ClN2O5/c1-11(2)26-17(23)12-3-5-14(6-4-12)21-16(22)10-25-18(24)15-9-13(19)7-8-20-15/h3-9,11H,10H2,1-2H3,(H,21,22)
InChIKeyYJZWHLIKSCUOJU-UHFFFAOYSA-N
XLogP3.10
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-chloropyridine-2-carboxylate
CID 8905906
propan-2-yl 4-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7750523
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 1,3-benzothiazole-6-carboxylate
CID 7190294
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7833853
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-chloropyridine-2-carboxylate
CID 8906394
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 4-ethoxy-3-methoxybenzoate
CID 7416061
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-chloro-6-fluorobenzoate
CID 7820383
propan-2-yl 4-[[2-(4-nitrobenzoyl)oxyacetyl]amino]benzoate
CID 7859404
propan-2-yl 4-[[2-[(1R,2S)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]benzoate
CID 8019758
[2-(4-tert-butylanilino)-2-oxoethyl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
CID 8820693
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-chloropyridine-2-carboxylate
CID 8906032
propan-2-yl 4-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]benzoate
CID 7965181

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 4-chloropyridine-2-carboxylate?
The IUPAC name of [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 4-chloropyridine-2-carboxylate (CID 8804340) is [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 4-chloropyridine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 4-chloropyridine-2-carboxylate?
The canonical SMILES for [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 4-chloropyridine-2-carboxylate is CC(C)OC(=O)c1ccc(NC(=O)COC(=O)c2cc(Cl)ccn2)cc1.
What is the InChIKey of [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 4-chloropyridine-2-carboxylate?
The InChIKey is YJZWHLIKSCUOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O5/c1-11(2)26-17(23)12-3-5-14(6-4-12)21-16(22)10-25-18(24)15-9-13(19)7-8-20-15/h3-9,11H,10H2,1-2H3,(H,21,22).
What are the key properties of [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 4-chloropyridine-2-carboxylate?
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 4-chloropyridine-2-carboxylate has a molecular weight of 376.80 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 4-chloropyridine-2-carboxylate is sourced from PubChem (CID 8804340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).