2-methylpropyl 2-[(3,4-dichlorobenzoyl)amino]acetate

C13H15Cl2NO3 — CID 24657372

IUPAC2-methylpropyl 2-[(3,4-dichlorobenzoyl)amino]acetate
SMILESCC(C)COC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2NO3/c1-8(2)7-19-12(17)6-16-13(18)9-3-4-10(14)11(15)5-9/h3-5,8H,6-7H2,1-2H3,(H,16,18)
InChIKeyJVQYZMSYSPBLAB-UHFFFAOYSA-N
MW304.17 g/mol
LogP2.92
Rot. Bonds5

About 2-methylpropyl 2-[(3,4-dichlorobenzoyl)amino]acetate

2-methylpropyl 2-[(3,4-dichlorobenzoyl)amino]acetate (PubChem CID 24657372) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is 2-methylpropyl 2-[(3,4-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name2-methylpropyl 2-[(3,4-dichlorobenzoyl)amino]acetate
PubChem CID24657372
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name2-methylpropyl 2-[(3,4-dichlorobenzoyl)amino]acetate
SMILESCC(C)COC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2NO3/c1-8(2)7-19-12(17)6-16-13(18)9-3-4-10(14)11(15)5-9/h3-5,8H,6-7H2,1-2H3,(H,16,18)
InChIKeyJVQYZMSYSPBLAB-UHFFFAOYSA-N
XLogP2.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 5039478
[2-(3-methylbutylamino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880742
3,4-dichloro-N-(2-methylpropoxy)benzamide
CID 115409805
2-methylpropyl 3,4-dichlorobenzoate
CID 82186391
[(1S)-1-phenylethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880684
2-(4-methylphenoxy)ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880664
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880791
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 22831050
3,4-dichloro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 27556673
N-(2-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 81483692
3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 110418217
N-(3-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 115267427

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[(3,4-dichlorobenzoyl)amino]acetate?
The IUPAC name of 2-methylpropyl 2-[(3,4-dichlorobenzoyl)amino]acetate (CID 24657372) is 2-methylpropyl 2-[(3,4-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for 2-methylpropyl 2-[(3,4-dichlorobenzoyl)amino]acetate?
The canonical SMILES for 2-methylpropyl 2-[(3,4-dichlorobenzoyl)amino]acetate is CC(C)COC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-methylpropyl 2-[(3,4-dichlorobenzoyl)amino]acetate?
The InChIKey is JVQYZMSYSPBLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-8(2)7-19-12(17)6-16-13(18)9-3-4-10(14)11(15)5-9/h3-5,8H,6-7H2,1-2H3,(H,16,18).
What are the key properties of 2-methylpropyl 2-[(3,4-dichlorobenzoyl)amino]acetate?
2-methylpropyl 2-[(3,4-dichlorobenzoyl)amino]acetate has a molecular weight of 304.17 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[(3,4-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 24657372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).