[2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate

C16H13Cl2NO4 — CID 2578343

IUPAC[2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)c1O
InChIInChI=1S/C16H13Cl2NO4/c1-9-4-2-5-10(15(9)21)16(22)23-8-13(20)19-12-7-3-6-11(17)14(12)18/h2-7,21H,8H2,1H3,(H,19,20)
InChIKeyGWVPOSJHBNQTNP-UHFFFAOYSA-N
MW354.19 g/mol
LogP3.80
Rot. Bonds4

About [2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate

[2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate (PubChem CID 2578343) has the molecular formula C16H13Cl2NO4 and a molecular weight of 354.19 g/mol. Its IUPAC name is [2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Name[2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
PubChem CID2578343
Molecular FormulaC16H13Cl2NO4
Molecular Weight354.19 g/mol
Exact Mass353.02
IUPAC Name[2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)c1O
InChIInChI=1S/C16H13Cl2NO4/c1-9-4-2-5-10(15(9)21)16(22)23-8-13(20)19-12-7-3-6-11(17)14(12)18/h2-7,21H,8H2,1H3,(H,19,20)
InChIKeyGWVPOSJHBNQTNP-UHFFFAOYSA-N
XLogP3.80
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-chloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578232
[2-(2-ethylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7840630
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxybenzoate
CID 7485087
[2-(4-methylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578244
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2496453
[2-(2-methyl-3-nitroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578045
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 18085533
[2-(2,3-dichloroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 16525418
[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7416041
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782625
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-ethylbenzoate
CID 8015070
(2,6-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 925965

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate (CID 2578343) is [2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for [2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The canonical SMILES for [2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate is Cc1cccc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)c1O.
What is the InChIKey of [2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The InChIKey is GWVPOSJHBNQTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO4/c1-9-4-2-5-10(15(9)21)16(22)23-8-13(20)19-12-7-3-6-11(17)14(12)18/h2-7,21H,8H2,1H3,(H,19,20).
What are the key properties of [2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate has a molecular weight of 354.19 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 2578343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).