benzyl 2-[(2,5-dichlorobenzoyl)amino]acetate

C16H13Cl2NO3 — CID 26878280

IUPACbenzyl 2-[(2,5-dichlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1cc(Cl)ccc1Cl)OCc1ccccc1
InChIInChI=1S/C16H13Cl2NO3/c17-12-6-7-14(18)13(8-12)16(21)19-9-15(20)22-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,19,21)
InChIKeyKHJXBZKWWGWNCB-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.47
Rot. Bonds5

About benzyl 2-[(2,5-dichlorobenzoyl)amino]acetate

benzyl 2-[(2,5-dichlorobenzoyl)amino]acetate (PubChem CID 26878280) has the molecular formula C16H13Cl2NO3 and a molecular weight of 338.19 g/mol. Its IUPAC name is benzyl 2-[(2,5-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[(2,5-dichlorobenzoyl)amino]acetate
PubChem CID26878280
Molecular FormulaC16H13Cl2NO3
Molecular Weight338.19 g/mol
Exact Mass337.03
IUPAC Namebenzyl 2-[(2,5-dichlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1cc(Cl)ccc1Cl)OCc1ccccc1
InChIInChI=1S/C16H13Cl2NO3/c17-12-6-7-14(18)13(8-12)16(21)19-9-15(20)22-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,19,21)
InChIKeyKHJXBZKWWGWNCB-UHFFFAOYSA-N
XLogP3.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate
CID 27711239
benzyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 36949186
(3,4-dichlorophenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate
CID 31864850
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
(3-fluorophenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
CID 8635005
benzyl 2-benzamidoacetate;ethane
CID 142836612
benzyl 2-[3-(3-chlorophenyl)propanoylamino]acetate
CID 51280706
(4-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807819
2-phenoxyethyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843771
(4-propan-2-ylphenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
CID 22830639
benzyl 2-[[2-(phenoxymethyl)benzoyl]amino]acetate
CID 32982202
benzyl 2-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]acetate
CID 2608857

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(2,5-dichlorobenzoyl)amino]acetate?
The IUPAC name of benzyl 2-[(2,5-dichlorobenzoyl)amino]acetate (CID 26878280) is benzyl 2-[(2,5-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for benzyl 2-[(2,5-dichlorobenzoyl)amino]acetate?
The canonical SMILES for benzyl 2-[(2,5-dichlorobenzoyl)amino]acetate is O=C(CNC(=O)c1cc(Cl)ccc1Cl)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(2,5-dichlorobenzoyl)amino]acetate?
The InChIKey is KHJXBZKWWGWNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO3/c17-12-6-7-14(18)13(8-12)16(21)19-9-15(20)22-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,19,21).
What are the key properties of benzyl 2-[(2,5-dichlorobenzoyl)amino]acetate?
benzyl 2-[(2,5-dichlorobenzoyl)amino]acetate has a molecular weight of 338.19 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(2,5-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 26878280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).