methyl 3-[(2,6-dichlorobenzoyl)-methylamino]-2-methylpropanoate

C13H15Cl2NO3 — CID 55008393

IUPACmethyl 3-[(2,6-dichlorobenzoyl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H15Cl2NO3/c1-8(13(18)19-3)7-16(2)12(17)11-9(14)5-4-6-10(11)15/h4-6,8H,7H2,1-3H3
InChIKeyWIOYZOIVUNSWRO-UHFFFAOYSA-N
MW304.17 g/mol
LogP2.87
Rot. Bonds4

About methyl 3-[(2,6-dichlorobenzoyl)-methylamino]-2-methylpropanoate

methyl 3-[(2,6-dichlorobenzoyl)-methylamino]-2-methylpropanoate (PubChem CID 55008393) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is methyl 3-[(2,6-dichlorobenzoyl)-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(2,6-dichlorobenzoyl)-methylamino]-2-methylpropanoate
PubChem CID55008393
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Namemethyl 3-[(2,6-dichlorobenzoyl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H15Cl2NO3/c1-8(13(18)19-3)7-16(2)12(17)11-9(14)5-4-6-10(11)15/h4-6,8H,7H2,1-3H3
InChIKeyWIOYZOIVUNSWRO-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(3-chlorobenzoyl)-methylamino]-2-methylpropanoate
CID 55008439
methyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]-2-methylpropanoate
CID 80641870
methyl 3-[(2-chloro-3-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 79035725
methyl 3-[(2-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoate
CID 61051558
methyl 2-[(2,6-dichlorobenzoyl)-methylamino]acetate
CID 43422763
methyl 3-[(2,6-difluoro-3-methylbenzoyl)-methylamino]-2-methylpropanoate
CID 82815569
methyl 3-[3-(2-chlorophenyl)prop-2-enoyl-methylamino]-2-methylpropanoate
CID 76912329
methyl 3-[(2-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 61052680
methyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 60704441
methyl 2-[(2,6-dichlorobenzoyl)-propan-2-ylamino]acetate
CID 55005992
methyl 3-[(3,5-dimethylbenzoyl)-methylamino]-2-methylpropanoate
CID 55007974
methyl 3-[[2-(2,3-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 62013612

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,6-dichlorobenzoyl)-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(2,6-dichlorobenzoyl)-methylamino]-2-methylpropanoate (CID 55008393) is methyl 3-[(2,6-dichlorobenzoyl)-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(2,6-dichlorobenzoyl)-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(2,6-dichlorobenzoyl)-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)C(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of methyl 3-[(2,6-dichlorobenzoyl)-methylamino]-2-methylpropanoate?
The InChIKey is WIOYZOIVUNSWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-8(13(18)19-3)7-16(2)12(17)11-9(14)5-4-6-10(11)15/h4-6,8H,7H2,1-3H3.
What are the key properties of methyl 3-[(2,6-dichlorobenzoyl)-methylamino]-2-methylpropanoate?
methyl 3-[(2,6-dichlorobenzoyl)-methylamino]-2-methylpropanoate has a molecular weight of 304.17 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,6-dichlorobenzoyl)-methylamino]-2-methylpropanoate is sourced from PubChem (CID 55008393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).