methyl 2-[(2,6-dichlorobenzoyl)-propan-2-ylamino]acetate

C13H15Cl2NO3 — CID 55005992

IUPACmethyl 2-[(2,6-dichlorobenzoyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1c(Cl)cccc1Cl)C(C)C
InChIInChI=1S/C13H15Cl2NO3/c1-8(2)16(7-11(17)19-3)13(18)12-9(14)5-4-6-10(12)15/h4-6,8H,7H2,1-3H3
InChIKeyYTXNJJOODFFKKM-UHFFFAOYSA-N
MW304.17 g/mol
LogP3.02
Rot. Bonds4

About methyl 2-[(2,6-dichlorobenzoyl)-propan-2-ylamino]acetate

methyl 2-[(2,6-dichlorobenzoyl)-propan-2-ylamino]acetate (PubChem CID 55005992) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is methyl 2-[(2,6-dichlorobenzoyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,6-dichlorobenzoyl)-propan-2-ylamino]acetate
PubChem CID55005992
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Namemethyl 2-[(2,6-dichlorobenzoyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1c(Cl)cccc1Cl)C(C)C
InChIInChI=1S/C13H15Cl2NO3/c1-8(2)16(7-11(17)19-3)13(18)12-9(14)5-4-6-10(12)15/h4-6,8H,7H2,1-3H3
InChIKeyYTXNJJOODFFKKM-UHFFFAOYSA-N
XLogP3.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2,6-dichlorobenzoyl)-methylamino]acetate
CID 43422763
methyl 2-[(4-chlorobenzoyl)-propan-2-ylamino]acetate
CID 54941937
methyl 2-[(3-chloro-4-methylbenzoyl)-propan-2-ylamino]acetate
CID 63195216
methyl 2-[(4-chloro-3-fluorobenzoyl)-propan-2-ylamino]acetate
CID 103876685
methyl 2-[(3-methoxybenzoyl)-propan-2-ylamino]acetate
CID 54941995
methyl 2-[(5-amino-2,3-dichlorobenzoyl)-propan-2-ylamino]acetate
CID 107184293
ethyl 2-[(2,3-dichlorobenzoyl)-propan-2-ylamino]acetate
CID 61022668
methyl 2-[(5-chloro-2-iodobenzoyl)-propan-2-ylamino]acetate
CID 113223737
methyl 3-[(2,6-dichlorobenzoyl)-methylamino]-2-methylpropanoate
CID 55008393
methyl 2-[(3-chloro-4-methylphenyl)carbamoyl-propan-2-ylamino]acetate
CID 60970548
methyl 2-[[3-(difluoromethoxy)benzoyl]-propan-2-ylamino]acetate
CID 60767021
methyl 2-[(3-cyanobenzoyl)-propan-2-ylamino]acetate
CID 54941803

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,6-dichlorobenzoyl)-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(2,6-dichlorobenzoyl)-propan-2-ylamino]acetate (CID 55005992) is methyl 2-[(2,6-dichlorobenzoyl)-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(2,6-dichlorobenzoyl)-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(2,6-dichlorobenzoyl)-propan-2-ylamino]acetate is COC(=O)CN(C(=O)c1c(Cl)cccc1Cl)C(C)C.
What is the InChIKey of methyl 2-[(2,6-dichlorobenzoyl)-propan-2-ylamino]acetate?
The InChIKey is YTXNJJOODFFKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-8(2)16(7-11(17)19-3)13(18)12-9(14)5-4-6-10(12)15/h4-6,8H,7H2,1-3H3.
What are the key properties of methyl 2-[(2,6-dichlorobenzoyl)-propan-2-ylamino]acetate?
methyl 2-[(2,6-dichlorobenzoyl)-propan-2-ylamino]acetate has a molecular weight of 304.17 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,6-dichlorobenzoyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 55005992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).