[2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate

C16H13Cl2NO5 — CID 18085533

IUPAC[2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
SMILESCOc1ccc(O)c(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C16H13Cl2NO5/c1-23-9-5-6-13(20)10(7-9)16(22)24-8-14(21)19-12-4-2-3-11(17)15(12)18/h2-7,20H,8H2,1H3,(H,19,21)
InChIKeyJDFSPKOVDNGTIB-UHFFFAOYSA-N
MW370.19 g/mol
LogP3.50
Rot. Bonds5

About [2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate

[2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate (PubChem CID 18085533) has the molecular formula C16H13Cl2NO5 and a molecular weight of 370.19 g/mol. Its IUPAC name is [2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate.

Molecular Properties

Compound Name[2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
PubChem CID18085533
Molecular FormulaC16H13Cl2NO5
Molecular Weight370.19 g/mol
Exact Mass369.02
IUPAC Name[2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
SMILESCOc1ccc(O)c(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C16H13Cl2NO5/c1-23-9-5-6-13(20)10(7-9)16(22)24-8-14(21)19-12-4-2-3-11(17)15(12)18/h2-7,20H,8H2,1H3,(H,19,21)
InChIKeyJDFSPKOVDNGTIB-UHFFFAOYSA-N
XLogP3.50
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,3-dichloroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 16525418
[2-(2,6-diethylanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 7441971
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578343
N-(2,3-dichlorophenyl)-2-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]acetamide
CID 3910876
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7812297
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxybenzoate
CID 7485087
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 7787669
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211911
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782625
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-ethylbenzoate
CID 8015070
[2-(2-fluoroanilino)-2-oxoethyl] 4-methoxy-2-methylbenzoate
CID 46924950
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 2531023

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate?
The IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate (CID 18085533) is [2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate.
What is the SMILES notation for [2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate?
The canonical SMILES for [2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate is COc1ccc(O)c(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)c1.
What is the InChIKey of [2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate?
The InChIKey is JDFSPKOVDNGTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO5/c1-23-9-5-6-13(20)10(7-9)16(22)24-8-14(21)19-12-4-2-3-11(17)15(12)18/h2-7,20H,8H2,1H3,(H,19,21).
What are the key properties of [2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate?
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate has a molecular weight of 370.19 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate is sourced from PubChem (CID 18085533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).