[2-(2-chloroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate

C14H12ClN3O5 — CID 9063517

IUPAC[2-(2-chloroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
SMILESO=C(COC(=O)Cn1ccc(=O)[nH]c1=O)Nc1ccccc1Cl
InChIInChI=1S/C14H12ClN3O5/c15-9-3-1-2-4-10(9)16-12(20)8-23-13(21)7-18-6-5-11(19)17-14(18)22/h1-6H,7-8H2,(H,16,20)(H,17,19,22)
InChIKeySPGNPCRUOLRTPT-UHFFFAOYSA-N
MW337.72 g/mol
LogP0.37
Rot. Bonds5

About [2-(2-chloroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate

[2-(2-chloroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate (PubChem CID 9063517) has the molecular formula C14H12ClN3O5 and a molecular weight of 337.72 g/mol. Its IUPAC name is [2-(2-chloroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Name[2-(2-chloroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
PubChem CID9063517
Molecular FormulaC14H12ClN3O5
Molecular Weight337.72 g/mol
Exact Mass337.05
IUPAC Name[2-(2-chloroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
SMILESO=C(COC(=O)Cn1ccc(=O)[nH]c1=O)Nc1ccccc1Cl
InChIInChI=1S/C14H12ClN3O5/c15-9-3-1-2-4-10(9)16-12(20)8-23-13(21)7-18-6-5-11(19)17-14(18)22/h1-6H,7-8H2,(H,16,20)(H,17,19,22)
InChIKeySPGNPCRUOLRTPT-UHFFFAOYSA-N
XLogP0.37
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.72
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7632710
[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-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7633214
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7633263
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7633167
[2-(3-methylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 9063513
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 9063575
[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
[2-(2-chloroanilino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7822029
[2-(2-chloroanilino)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804535

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
The IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate (CID 9063517) is [2-(2-chloroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate.
What is the SMILES notation for [2-(2-chloroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
The canonical SMILES for [2-(2-chloroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate is O=C(COC(=O)Cn1ccc(=O)[nH]c1=O)Nc1ccccc1Cl.
What is the InChIKey of [2-(2-chloroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
The InChIKey is SPGNPCRUOLRTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O5/c15-9-3-1-2-4-10(9)16-12(20)8-23-13(21)7-18-6-5-11(19)17-14(18)22/h1-6H,7-8H2,(H,16,20)(H,17,19,22).
What are the key properties of [2-(2-chloroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
[2-(2-chloroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate has a molecular weight of 337.72 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate is sourced from PubChem (CID 9063517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).