[2-(methylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate

C12H12Cl2N2O4 — CID 2554300

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
SMILESCNC(=O)NC(=O)COC(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N2O4/c1-15-12(19)16-10(17)6-20-11(18)4-7-2-3-8(13)5-9(7)14/h2-3,5H,4,6H2,1H3,(H2,15,16,17,19)
InChIKeyKKGMQRLFMGMPAR-UHFFFAOYSA-N
MW319.14 g/mol
LogP1.53
Rot. Bonds4

About [2-(methylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate

[2-(methylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate (PubChem CID 2554300) has the molecular formula C12H12Cl2N2O4 and a molecular weight of 319.14 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
PubChem CID2554300
Molecular FormulaC12H12Cl2N2O4
Molecular Weight319.14 g/mol
Exact Mass318.02
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
SMILESCNC(=O)NC(=O)COC(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N2O4/c1-15-12(19)16-10(17)6-20-11(18)4-7-2-3-8(13)5-9(7)14/h2-3,5H,4,6H2,1H3,(H2,15,16,17,19)
InChIKeyKKGMQRLFMGMPAR-UHFFFAOYSA-N
XLogP1.53
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methylpropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2433513
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 7763020
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 8021109
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2450474
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 7762959
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 2576910
[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 7604285
2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)acetamide
CID 4805018
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615975
[2-(4-chloro-3-nitroanilino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2387589
[2-(methylcarbamoylamino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 4650274
fluoro 2-(2,4-dichlorophenyl)acetate
CID 144704595

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate (CID 2554300) is [2-(methylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate is CNC(=O)NC(=O)COC(=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
The InChIKey is KKGMQRLFMGMPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O4/c1-15-12(19)16-10(17)6-20-11(18)4-7-2-3-8(13)5-9(7)14/h2-3,5H,4,6H2,1H3,(H2,15,16,17,19).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate has a molecular weight of 319.14 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate is sourced from PubChem (CID 2554300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).