[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-hydroxybenzoate

C15H10Cl3NO4 — CID 2624996

IUPAC[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-hydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl3NO4/c16-9-5-11(17)14(12(18)6-9)19-13(21)7-23-15(22)8-1-3-10(20)4-2-8/h1-6,20H,7H2,(H,19,21)
InChIKeyQSLXHDXMHHFBRG-UHFFFAOYSA-N
MW374.61 g/mol
LogP4.15
Rot. Bonds4

About [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-hydroxybenzoate

[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-hydroxybenzoate (PubChem CID 2624996) has the molecular formula C15H10Cl3NO4 and a molecular weight of 374.61 g/mol. Its IUPAC name is [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-hydroxybenzoate
PubChem CID2624996
Molecular FormulaC15H10Cl3NO4
Molecular Weight374.61 g/mol
Exact Mass372.97
IUPAC Name[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-hydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl3NO4/c16-9-5-11(17)14(12(18)6-9)19-13(21)7-23-15(22)8-1-3-10(20)4-2-8/h1-6,20H,7H2,(H,19,21)
InChIKeyQSLXHDXMHHFBRG-UHFFFAOYSA-N
XLogP4.15
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.61
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2,4,6-trichloroanilino)ethyl] pyridine-4-carboxylate
CID 2347807
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 3-amino-4-chlorobenzoate
CID 7764963
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-(difluoromethylsulfonyl)benzoate
CID 16513327
methyl 4-[2-oxo-2-(2,4,6-trichloroanilino)ethoxy]benzoate
CID 7667580
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 16501312
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-methylbenzoate
CID 7718015
[2-(2,4-dichloroanilino)-2-oxoethyl] 4-aminobenzoate
CID 7781295
4-O-[2-(3,5-dichloroanilino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296675
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 3-aminonaphthalene-2-carboxylate
CID 23904784
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 2357417
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 18289074
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 27803967

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-hydroxybenzoate?
The IUPAC name of [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-hydroxybenzoate (CID 2624996) is [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-hydroxybenzoate.
What is the SMILES notation for [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-hydroxybenzoate?
The canonical SMILES for [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-hydroxybenzoate is O=C(COC(=O)c1ccc(O)cc1)Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-hydroxybenzoate?
The InChIKey is QSLXHDXMHHFBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3NO4/c16-9-5-11(17)14(12(18)6-9)19-13(21)7-23-15(22)8-1-3-10(20)4-2-8/h1-6,20H,7H2,(H,19,21).
What are the key properties of [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-hydroxybenzoate?
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-hydroxybenzoate has a molecular weight of 374.61 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-hydroxybenzoate is sourced from PubChem (CID 2624996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).