methyl 4-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]benzoate

C18H16ClNO5 — CID 7750430

IUPACmethyl 4-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H16ClNO5/c1-24-18(23)13-4-8-15(9-5-13)20-16(21)11-25-17(22)10-12-2-6-14(19)7-3-12/h2-9H,10-11H2,1H3,(H,20,21)
InChIKeyCSTVHLNWDLJINW-UHFFFAOYSA-N
MW361.78 g/mol
LogP2.85
Rot. Bonds6

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

methyl 4-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]benzoate (PubChem CID 7750430) has the molecular formula C18H16ClNO5 and a molecular weight of 361.78 g/mol. Its IUPAC name is methyl 4-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]benzoate
PubChem CID7750430
Molecular FormulaC18H16ClNO5
Molecular Weight361.78 g/mol
Exact Mass361.07
IUPAC Namemethyl 4-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H16ClNO5/c1-24-18(23)13-4-8-15(9-5-13)20-16(21)11-25-17(22)10-12-2-6-14(19)7-3-12/h2-9H,10-11H2,1H3,(H,20,21)
InChIKeyCSTVHLNWDLJINW-UHFFFAOYSA-N
XLogP2.85
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.78
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-[2-(2-fluorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7796353
ethyl 4-[[2-[2-(4-fluorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7759306
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2387543
[2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 7750261
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8671570
[2-(4-ethylanilino)-2-oxoethyl] 2-phenylacetate
CID 7874962
methyl 4-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzoate
CID 9083102
methyl 4-[[2-[3-(4-fluorophenyl)propanoyloxy]acetyl]amino]benzoate
CID 8551955
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7864589
methyl 4-[[2-(3-phenylpropanoyloxy)acetyl]amino]benzoate
CID 7654687
methyl 4-[[2-[(4-chlorophenyl)methylsulfonyl]acetyl]amino]benzoate
CID 17225120
methyl 4-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate
CID 9041063

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]benzoate (CID 7750430) is methyl 4-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)COC(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of methyl 4-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]benzoate?
The InChIKey is CSTVHLNWDLJINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO5/c1-24-18(23)13-4-8-15(9-5-13)20-16(21)11-25-17(22)10-12-2-6-14(19)7-3-12/h2-9H,10-11H2,1H3,(H,20,21).
What are the key properties of methyl 4-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]benzoate?
methyl 4-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]benzoate has a molecular weight of 361.78 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 7750430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).