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

C15H18Cl2N2O4 — CID 2487293

IUPAC[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate
SMILESCC(C)CCNC(=O)NC(=O)COC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H18Cl2N2O4/c1-9(2)6-7-18-15(22)19-12(20)8-23-14(21)10-4-3-5-11(16)13(10)17/h3-5,9H,6-8H2,1-2H3,(H2,18,19,20,22)
InChIKeyXDEHALLJPUWTRM-UHFFFAOYSA-N
MW361.23 g/mol
LogP3.02
Rot. Bonds6

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

[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate (PubChem CID 2487293) has the molecular formula C15H18Cl2N2O4 and a molecular weight of 361.23 g/mol. Its IUPAC name is [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate.

Molecular Properties

Compound Name[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate
PubChem CID2487293
Molecular FormulaC15H18Cl2N2O4
Molecular Weight361.23 g/mol
Exact Mass360.06
IUPAC Name[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate
SMILESCC(C)CCNC(=O)NC(=O)COC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H18Cl2N2O4/c1-9(2)6-7-18-15(22)19-12(20)8-23-14(21)10-4-3-5-11(16)13(10)17/h3-5,9H,6-8H2,1-2H3,(H2,18,19,20,22)
InChIKeyXDEHALLJPUWTRM-UHFFFAOYSA-N
XLogP3.02
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate
CID 2487334
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 2630424
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2627819
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 8604174
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] benzoate
CID 2516996
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 2691716
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614821
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2,3-dichlorobenzoate
CID 2645595
[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 2,3-dichlorobenzoate
CID 27213023
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611623
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 2511839
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-methoxybenzoate
CID 7986023

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate?
The IUPAC name of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate (CID 2487293) is [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate.
What is the SMILES notation for [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate?
The canonical SMILES for [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate is CC(C)CCNC(=O)NC(=O)COC(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate?
The InChIKey is XDEHALLJPUWTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O4/c1-9(2)6-7-18-15(22)19-12(20)8-23-14(21)10-4-3-5-11(16)13(10)17/h3-5,9H,6-8H2,1-2H3,(H2,18,19,20,22).
What are the key properties of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate?
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate has a molecular weight of 361.23 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate is sourced from PubChem (CID 2487293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).