[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2,4-dihydroxybenzoate

C15H11ClFNO5 — CID 7870700

IUPAC[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2,4-dihydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C15H11ClFNO5/c16-8-1-4-11(17)12(5-8)18-14(21)7-23-15(22)10-3-2-9(19)6-13(10)20/h1-6,19-20H,7H2,(H,18,21)
InChIKeyDMNDDQIPKBBOQC-UHFFFAOYSA-N
MW339.71 g/mol
LogP2.69
Rot. Bonds4

About [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2,4-dihydroxybenzoate

[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2,4-dihydroxybenzoate (PubChem CID 7870700) has the molecular formula C15H11ClFNO5 and a molecular weight of 339.71 g/mol. Its IUPAC name is [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2,4-dihydroxybenzoate.

Molecular Properties

Compound Name[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2,4-dihydroxybenzoate
PubChem CID7870700
Molecular FormulaC15H11ClFNO5
Molecular Weight339.71 g/mol
Exact Mass339.03
IUPAC Name[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2,4-dihydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C15H11ClFNO5/c16-8-1-4-11(17)12(5-8)18-14(21)7-23-15(22)10-3-2-9(19)6-13(10)20/h1-6,19-20H,7H2,(H,18,21)
InChIKeyDMNDDQIPKBBOQC-UHFFFAOYSA-N
XLogP2.69
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.71
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 7809812
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870707
[2-(2,5-difluoroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620176
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2536642
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 8534707
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 8610264
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 8604243
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2349879
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870731
[2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611829
[2-(2-bromoanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8629644
[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 4-chloro-2-hydroxybenzoate
CID 42235707

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2,4-dihydroxybenzoate?
The IUPAC name of [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2,4-dihydroxybenzoate (CID 7870700) is [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2,4-dihydroxybenzoate.
What is the SMILES notation for [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2,4-dihydroxybenzoate?
The canonical SMILES for [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2,4-dihydroxybenzoate is O=C(COC(=O)c1ccc(O)cc1O)Nc1cc(Cl)ccc1F.
What is the InChIKey of [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2,4-dihydroxybenzoate?
The InChIKey is DMNDDQIPKBBOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO5/c16-8-1-4-11(17)12(5-8)18-14(21)7-23-15(22)10-3-2-9(19)6-13(10)20/h1-6,19-20H,7H2,(H,18,21).
What are the key properties of [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2,4-dihydroxybenzoate?
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2,4-dihydroxybenzoate has a molecular weight of 339.71 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2,4-dihydroxybenzoate is sourced from PubChem (CID 7870700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).