[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate

C17H16ClNO5 — CID 8671876

IUPAC[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C17H16ClNO5/c1-23-15-7-4-12(18)9-14(15)19-16(21)10-24-17(22)8-11-2-5-13(20)6-3-11/h2-7,9,20H,8,10H2,1H3,(H,19,21)
InChIKeyVSPKKMUEEDUHBW-UHFFFAOYSA-N
MW349.77 g/mol
LogP2.78
Rot. Bonds6

About [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate (PubChem CID 8671876) has the molecular formula C17H16ClNO5 and a molecular weight of 349.77 g/mol. Its IUPAC name is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate.

Molecular Properties

Compound Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
PubChem CID8671876
Molecular FormulaC17H16ClNO5
Molecular Weight349.77 g/mol
Exact Mass349.07
IUPAC Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C17H16ClNO5/c1-23-15-7-4-12(18)9-14(15)19-16(21)10-24-17(22)8-11-2-5-13(20)6-3-11/h2-7,9,20H,8,10H2,1H3,(H,19,21)
InChIKeyVSPKKMUEEDUHBW-UHFFFAOYSA-N
XLogP2.78
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 7750443
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8671815
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-oxopentanoate
CID 8627342
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7705565
[2-(2-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615244
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2538476
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8613255
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556032
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 9201293
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 2567217
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
1-(5-chloro-2-methoxyphenyl)-3-[2-(4-hydroxyphenyl)ethyl]urea
CID 108875470

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate?
The IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate (CID 8671876) is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate.
What is the SMILES notation for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate?
The canonical SMILES for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate is COc1ccc(Cl)cc1NC(=O)COC(=O)Cc1ccc(O)cc1.
What is the InChIKey of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate?
The InChIKey is VSPKKMUEEDUHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO5/c1-23-15-7-4-12(18)9-14(15)19-16(21)10-24-17(22)8-11-2-5-13(20)6-3-11/h2-7,9,20H,8,10H2,1H3,(H,19,21).
What are the key properties of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate?
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate has a molecular weight of 349.77 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate is sourced from PubChem (CID 8671876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).