[2-(4-acetamidoanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate

C18H17ClN2O5 — CID 2615045

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
SMILESCOc1ccc(Cl)cc1C(=O)OCC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H17ClN2O5/c1-11(22)20-13-4-6-14(7-5-13)21-17(23)10-26-18(24)15-9-12(19)3-8-16(15)25-2/h3-9H,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyLRWMGXQCJGOVBI-UHFFFAOYSA-N
MW376.80 g/mol
LogP3.10
Rot. Bonds6

About [2-(4-acetamidoanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate

[2-(4-acetamidoanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate (PubChem CID 2615045) has the molecular formula C18H17ClN2O5 and a molecular weight of 376.80 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
PubChem CID2615045
Molecular FormulaC18H17ClN2O5
Molecular Weight376.80 g/mol
Exact Mass376.08
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
SMILESCOc1ccc(Cl)cc1C(=O)OCC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H17ClN2O5/c1-11(22)20-13-4-6-14(7-5-13)21-17(23)10-26-18(24)15-9-12(19)3-8-16(15)25-2/h3-9H,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyLRWMGXQCJGOVBI-UHFFFAOYSA-N
XLogP3.10
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(4-acetamidoanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate with MolForge

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Related Compounds

[2-(3,5-dichloroanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7235662
[2-(4-cyanoanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2615023
[2-(4-acetamidoanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2566522
[2-(4-acetamidoanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7864627
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7582401
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2,5-dichlorobenzoate
CID 2487542
[2-(3-acetamidoanilino)-2-oxoethyl] 2,5-dichlorobenzoate
CID 7722951
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 7581899
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-acetamido-4,5-dimethoxybenzoate
CID 41279847
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2,5-dimethoxybenzoate
CID 7586714
[2-(4-methylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
CID 2715251
methyl 3-[[2-(5-chloro-2-methoxybenzoyl)oxyacetyl]amino]-4-methylbenzoate
CID 7291388

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate (CID 2615045) is [2-(4-acetamidoanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate is COc1ccc(Cl)cc1C(=O)OCC(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate?
The InChIKey is LRWMGXQCJGOVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O5/c1-11(22)20-13-4-6-14(7-5-13)21-17(23)10-26-18(24)15-9-12(19)3-8-16(15)25-2/h3-9H,10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate?
[2-(4-acetamidoanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate has a molecular weight of 376.80 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate is sourced from PubChem (CID 2615045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).