[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetamidophenyl)acetate

C19H18ClNO5 — CID 8671559

IUPAC[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
SMILESCOc1ccc(C(=O)COC(=O)Cc2ccc(NC(C)=O)cc2)cc1Cl
InChIInChI=1S/C19H18ClNO5/c1-12(22)21-15-6-3-13(4-7-15)9-19(24)26-11-17(23)14-5-8-18(25-2)16(20)10-14/h3-8,10H,9,11H2,1-2H3,(H,21,22)
InChIKeyMYCYWIYMYWLBGB-UHFFFAOYSA-N
MW375.81 g/mol
LogP3.28
Rot. Bonds7

About [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetamidophenyl)acetate

[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetamidophenyl)acetate (PubChem CID 8671559) has the molecular formula C19H18ClNO5 and a molecular weight of 375.81 g/mol. Its IUPAC name is [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Name[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
PubChem CID8671559
Molecular FormulaC19H18ClNO5
Molecular Weight375.81 g/mol
Exact Mass375.09
IUPAC Name[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
SMILESCOc1ccc(C(=O)COC(=O)Cc2ccc(NC(C)=O)cc2)cc1Cl
InChIInChI=1S/C19H18ClNO5/c1-12(22)21-15-6-3-13(4-7-15)9-19(24)26-11-17(23)14-5-8-18(25-2)16(20)10-14/h3-8,10H,9,11H2,1-2H3,(H,21,22)
InChIKeyMYCYWIYMYWLBGB-UHFFFAOYSA-N
XLogP3.28
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7627706
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate
CID 8506376
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate
CID 8732609
4-O-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7488857
[2-(4-benzamidophenyl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 30688450
[2-(4-acetamidophenyl)-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate
CID 9125757
2-(2,4-dichlorophenoxy)ethyl 2-(4-acetamidophenyl)acetate
CID 8610773
(2-amino-2-oxoethyl) 2-(4-acetamidophenyl)acetate
CID 8608168
2-(4-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 43161702
1-(3-chloro-4-methoxyphenyl)-2-phenylethanone
CID 18756159
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766635
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 9201293

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
The IUPAC name of [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetamidophenyl)acetate (CID 8671559) is [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
The canonical SMILES for [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetamidophenyl)acetate is COc1ccc(C(=O)COC(=O)Cc2ccc(NC(C)=O)cc2)cc1Cl.
What is the InChIKey of [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
The InChIKey is MYCYWIYMYWLBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO5/c1-12(22)21-15-6-3-13(4-7-15)9-19(24)26-11-17(23)14-5-8-18(25-2)16(20)10-14/h3-8,10H,9,11H2,1-2H3,(H,21,22).
What are the key properties of [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetamidophenyl)acetate has a molecular weight of 375.81 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetamidophenyl)acetate is sourced from PubChem (CID 8671559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).