[2-(4-acetamidophenyl)-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate

C18H15Cl2NO5 — CID 9125757

IUPAC[2-(4-acetamidophenyl)-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate
SMILESCOc1c(Cl)cc(C(=O)OCC(=O)c2ccc(NC(C)=O)cc2)cc1Cl
InChIInChI=1S/C18H15Cl2NO5/c1-10(22)21-13-5-3-11(4-6-13)16(23)9-26-18(24)12-7-14(19)17(25-2)15(20)8-12/h3-8H,9H2,1-2H3,(H,21,22)
InChIKeyQJMPFRISUJCWOV-UHFFFAOYSA-N
MW396.23 g/mol
LogP4.00
Rot. Bonds6

About [2-(4-acetamidophenyl)-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate

[2-(4-acetamidophenyl)-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate (PubChem CID 9125757) has the molecular formula C18H15Cl2NO5 and a molecular weight of 396.23 g/mol. Its IUPAC name is [2-(4-acetamidophenyl)-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate.

Molecular Properties

Compound Name[2-(4-acetamidophenyl)-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate
PubChem CID9125757
Molecular FormulaC18H15Cl2NO5
Molecular Weight396.23 g/mol
Exact Mass395.03
IUPAC Name[2-(4-acetamidophenyl)-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate
SMILESCOc1c(Cl)cc(C(=O)OCC(=O)c2ccc(NC(C)=O)cc2)cc1Cl
InChIInChI=1S/C18H15Cl2NO5/c1-10(22)21-13-5-3-11(4-6-13)16(23)9-26-18(24)12-7-14(19)17(25-2)15(20)8-12/h3-8H,9H2,1-2H3,(H,21,22)
InChIKeyQJMPFRISUJCWOV-UHFFFAOYSA-N
XLogP4.00
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.23
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(4-acetamidophenyl)-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate with MolForge

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Related Compounds

[2-(4-acetamidophenyl)-2-oxoethyl] 3-chloro-5-methoxy-4-(3-methylbutoxy)benzoate
CID 42487122
[2-(4-acetamidophenyl)-2-oxoethyl] 3,4-dimethylbenzoate
CID 8708822
[2-(4-acetamidophenyl)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate
CID 8650177
[2-(4-acetamidophenyl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 7754563
[2-(4-carbamoylanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 2499683
[2-(4-chloroanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 2665383
[2-(4-methoxyanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 7681395
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8671559
[2-(4-acetamidophenyl)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 8792042
[2-(4-acetamidophenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8656999
phenacyl 3-chloro-4-methoxy-5-phenylmethoxybenzoate
CID 5034829
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3,5-dichloro-4-methoxybenzoate
CID 9126270

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate?
The IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate (CID 9125757) is [2-(4-acetamidophenyl)-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate.
What is the SMILES notation for [2-(4-acetamidophenyl)-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate?
The canonical SMILES for [2-(4-acetamidophenyl)-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate is COc1c(Cl)cc(C(=O)OCC(=O)c2ccc(NC(C)=O)cc2)cc1Cl.
What is the InChIKey of [2-(4-acetamidophenyl)-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate?
The InChIKey is QJMPFRISUJCWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO5/c1-10(22)21-13-5-3-11(4-6-13)16(23)9-26-18(24)12-7-14(19)17(25-2)15(20)8-12/h3-8H,9H2,1-2H3,(H,21,22).
What are the key properties of [2-(4-acetamidophenyl)-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate?
[2-(4-acetamidophenyl)-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate has a molecular weight of 396.23 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidophenyl)-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate is sourced from PubChem (CID 9125757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).