methyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate

C17H14ClNO5 — CID 2629462

IUPACmethyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClNO5/c1-23-17(22)13-4-2-3-5-14(13)19-15(20)10-24-16(21)11-6-8-12(18)9-7-11/h2-9H,10H2,1H3,(H,19,20)
InChIKeyBNYKFMIYPRIBEH-UHFFFAOYSA-N
MW347.75 g/mol
LogP2.92
Rot. Bonds5

About methyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate

methyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate (PubChem CID 2629462) has the molecular formula C17H14ClNO5 and a molecular weight of 347.75 g/mol. Its IUPAC name is methyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate
PubChem CID2629462
Molecular FormulaC17H14ClNO5
Molecular Weight347.75 g/mol
Exact Mass347.06
IUPAC Namemethyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClNO5/c1-23-17(22)13-4-2-3-5-14(13)19-15(20)10-24-16(21)11-6-8-12(18)9-7-11/h2-9H,10H2,1H3,(H,19,20)
InChIKeyBNYKFMIYPRIBEH-UHFFFAOYSA-N
XLogP2.92
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.75
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-(4-methylsulfonylbenzoyl)oxyacetyl]amino]benzoate
CID 2668483
methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
CID 721359
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3,4-dimethylbenzoate
CID 2563639
methyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate
CID 7211925
methyl 2-[[2-[4-(dimethylsulfamoyl)benzoyl]oxyacetyl]amino]benzoate
CID 2603679
methyl 2-[[2-(3-hydroxybenzoyl)oxyacetyl]amino]benzoate
CID 2431988
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-chlorobenzoate
CID 2629383
methyl 2-[[2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyacetyl]amino]benzoate
CID 7951075
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
CID 18122861
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate
CID 9452060
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 2501220
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate
CID 8649189

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate (CID 2629462) is methyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate?
The InChIKey is BNYKFMIYPRIBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO5/c1-23-17(22)13-4-2-3-5-14(13)19-15(20)10-24-16(21)11-6-8-12(18)9-7-11/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of methyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate?
methyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate has a molecular weight of 347.75 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate is sourced from PubChem (CID 2629462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).