[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate

C15H14ClN3O5 — CID 7632710

IUPAC[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
SMILESCc1c(Cl)cccc1NC(=O)COC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C15H14ClN3O5/c1-9-10(16)3-2-4-11(9)17-13(21)8-24-14(22)7-19-6-5-12(20)18-15(19)23/h2-6H,7-8H2,1H3,(H,17,21)(H,18,20,23)
InChIKeyZKHOGQQXGUEVDZ-UHFFFAOYSA-N
MW351.75 g/mol
LogP0.68
Rot. Bonds5

About [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate

[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate (PubChem CID 7632710) has the molecular formula C15H14ClN3O5 and a molecular weight of 351.75 g/mol. Its IUPAC name is [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Name[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
PubChem CID7632710
Molecular FormulaC15H14ClN3O5
Molecular Weight351.75 g/mol
Exact Mass351.06
IUPAC Name[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
SMILESCc1c(Cl)cccc1NC(=O)COC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C15H14ClN3O5/c1-9-10(16)3-2-4-11(9)17-13(21)8-24-14(22)7-19-6-5-12(20)18-15(19)23/h2-6H,7-8H2,1H3,(H,17,21)(H,18,20,23)
InChIKeyZKHOGQQXGUEVDZ-UHFFFAOYSA-N
XLogP0.68
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.75
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-chloroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 9063517
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7632697
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7632745
[2-(3-methylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 9063513
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7633167
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 2500146
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 9063575
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7633214
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-[(1S,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetate
CID 11937487
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7633263
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7632771
[2-(2-methoxyanilino)-2-oxoethyl] 3-(2,4-dioxopyrimidin-1-yl)propanoate
CID 90480546

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
The IUPAC name of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate (CID 7632710) is [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate.
What is the SMILES notation for [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
The canonical SMILES for [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate is Cc1c(Cl)cccc1NC(=O)COC(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
The InChIKey is ZKHOGQQXGUEVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O5/c1-9-10(16)3-2-4-11(9)17-13(21)8-24-14(22)7-19-6-5-12(20)18-15(19)23/h2-6H,7-8H2,1H3,(H,17,21)(H,18,20,23).
What are the key properties of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate has a molecular weight of 351.75 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate is sourced from PubChem (CID 7632710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).