[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate

C14H16Cl2N2O4 — CID 2487334

IUPAC[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate
SMILESCC(C)CNC(=O)NC(=O)COC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H16Cl2N2O4/c1-8(2)6-17-14(21)18-11(19)7-22-13(20)9-4-3-5-10(15)12(9)16/h3-5,8H,6-7H2,1-2H3,(H2,17,18,19,21)
InChIKeyHWJLOZDWGFQCGB-UHFFFAOYSA-N
MW347.20 g/mol
LogP2.63
Rot. Bonds5

About [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate (PubChem CID 2487334) has the molecular formula C14H16Cl2N2O4 and a molecular weight of 347.20 g/mol. Its IUPAC name is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate.

Molecular Properties

Compound Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate
PubChem CID2487334
Molecular FormulaC14H16Cl2N2O4
Molecular Weight347.20 g/mol
Exact Mass346.05
IUPAC Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate
SMILESCC(C)CNC(=O)NC(=O)COC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H16Cl2N2O4/c1-8(2)6-17-14(21)18-11(19)7-22-13(20)9-4-3-5-10(15)12(9)16/h3-5,8H,6-7H2,1-2H3,(H2,17,18,19,21)
InChIKeyHWJLOZDWGFQCGB-UHFFFAOYSA-N
XLogP2.63
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate
CID 2487293
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] naphthalene-1-carboxylate
CID 2558366
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2647794
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7670898
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]propanoate
CID 42898503
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2,3-dichlorobenzoate
CID 2645595
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate
CID 2502861
[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 2,3-dichlorobenzoate
CID 27213023
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2647912
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602816
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,3-dichlorobenzoate
CID 9202999
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2605824

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate?
The IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate (CID 2487334) is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate.
What is the SMILES notation for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate?
The canonical SMILES for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate is CC(C)CNC(=O)NC(=O)COC(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate?
The InChIKey is HWJLOZDWGFQCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O4/c1-8(2)6-17-14(21)18-11(19)7-22-13(20)9-4-3-5-10(15)12(9)16/h3-5,8H,6-7H2,1-2H3,(H2,17,18,19,21).
What are the key properties of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate?
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate has a molecular weight of 347.20 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate is sourced from PubChem (CID 2487334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).