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

C17H16ClNO4 — CID 8671815

IUPAC[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
SMILESCc1ccc(Cl)cc1NC(=O)COC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C17H16ClNO4/c1-11-2-5-13(18)9-15(11)19-16(21)10-23-17(22)8-12-3-6-14(20)7-4-12/h2-7,9,20H,8,10H2,1H3,(H,19,21)
InChIKeyPBDJVZSSIOUKLV-UHFFFAOYSA-N
MW333.77 g/mol
LogP3.08
Rot. Bonds5

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

[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate (PubChem CID 8671815) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate.

Molecular Properties

Compound Name[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
PubChem CID8671815
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Name[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
SMILESCc1ccc(Cl)cc1NC(=O)COC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C17H16ClNO4/c1-11-2-5-13(18)9-15(11)19-16(21)10-23-17(22)8-12-3-6-14(20)7-4-12/h2-7,9,20H,8,10H2,1H3,(H,19,21)
InChIKeyPBDJVZSSIOUKLV-UHFFFAOYSA-N
XLogP3.08
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7705565
N-(5-chloro-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838585
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8671876
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 7750443
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556032
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 3,3-dimethylbutanoate
CID 2349949
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7759288
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 7588252
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 7795375
N-(5-chloro-2-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 808427
(4-chlorophenyl)methyl 4-(5-chloro-2-methylanilino)-4-oxobutanoate
CID 19587904
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803923

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate?
The IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate (CID 8671815) is [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate.
What is the SMILES notation for [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate?
The canonical SMILES for [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate is Cc1ccc(Cl)cc1NC(=O)COC(=O)Cc1ccc(O)cc1.
What is the InChIKey of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate?
The InChIKey is PBDJVZSSIOUKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c1-11-2-5-13(18)9-15(11)19-16(21)10-23-17(22)8-12-3-6-14(20)7-4-12/h2-7,9,20H,8,10H2,1H3,(H,19,21).
What are the key properties of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate?
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate has a molecular weight of 333.77 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate is sourced from PubChem (CID 8671815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).