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

C11H11Cl2NO3 — CID 5039478

IUPACethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H11Cl2NO3/c1-2-17-10(15)6-14-11(16)7-3-4-8(12)9(13)5-7/h3-5H,2,6H2,1H3,(H,14,16)
InChIKeyBBJLMHHTKYNKRX-UHFFFAOYSA-N
MW276.12 g/mol
LogP2.29
Rot. Bonds4

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

ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate (PubChem CID 5039478) has the molecular formula C11H11Cl2NO3 and a molecular weight of 276.12 g/mol. Its IUPAC name is ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
PubChem CID5039478
Molecular FormulaC11H11Cl2NO3
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Nameethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H11Cl2NO3/c1-2-17-10(15)6-14-11(16)7-3-4-8(12)9(13)5-7/h3-5H,2,6H2,1H3,(H,14,16)
InChIKeyBBJLMHHTKYNKRX-UHFFFAOYSA-N
XLogP2.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 24657372
2-(4-methylphenoxy)ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880664
ethyl 2-[[4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-3-chlorobenzoyl]amino]acetate
CID 174704092
N-(2-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 81483692
ethyl 3-(3,4-dichlorophenyl)-3-oxopropanoate
CID 2758176
ethyl 2-[(3-amino-4-methylbenzoyl)amino]acetate
CID 60810629
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 22831050
ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 43007593
[2-(3-methylbutylamino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880742
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880791
ethyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate
CID 139749941
ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 46544273

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate (CID 5039478) is ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate is CCOC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate?
The InChIKey is BBJLMHHTKYNKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO3/c1-2-17-10(15)6-14-11(16)7-3-4-8(12)9(13)5-7/h3-5H,2,6H2,1H3,(H,14,16).
What are the key properties of ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate?
ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate has a molecular weight of 276.12 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 5039478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).