[2-(4-bromoanilino)-2-oxoethyl] 2,4-dihydroxybenzoate

C15H12BrNO5 — CID 2536586

IUPAC[2-(4-bromoanilino)-2-oxoethyl] 2,4-dihydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H12BrNO5/c16-9-1-3-10(4-2-9)17-14(20)8-22-15(21)12-6-5-11(18)7-13(12)19/h1-7,18-19H,8H2,(H,17,20)
InChIKeyLDZKBTMADWZRAN-UHFFFAOYSA-N
MW366.17 g/mol
LogP2.66
Rot. Bonds4

About [2-(4-bromoanilino)-2-oxoethyl] 2,4-dihydroxybenzoate

[2-(4-bromoanilino)-2-oxoethyl] 2,4-dihydroxybenzoate (PubChem CID 2536586) has the molecular formula C15H12BrNO5 and a molecular weight of 366.17 g/mol. Its IUPAC name is [2-(4-bromoanilino)-2-oxoethyl] 2,4-dihydroxybenzoate.

Molecular Properties

Compound Name[2-(4-bromoanilino)-2-oxoethyl] 2,4-dihydroxybenzoate
PubChem CID2536586
Molecular FormulaC15H12BrNO5
Molecular Weight366.17 g/mol
Exact Mass364.99
IUPAC Name[2-(4-bromoanilino)-2-oxoethyl] 2,4-dihydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H12BrNO5/c16-9-1-3-10(4-2-9)17-14(20)8-22-15(21)12-6-5-11(18)7-13(12)19/h1-7,18-19H,8H2,(H,17,20)
InChIKeyLDZKBTMADWZRAN-UHFFFAOYSA-N
XLogP2.66
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.17
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-bromoanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611638
[2-(3,4-dimethylanilino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2536650
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2,4-dihydroxybenzoate
CID 7870792
[2-(4-bromoanilino)-2-oxoethyl] 3,4,5-trihydroxybenzoate
CID 23964545
[2-(4-bromoanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2570281
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870754
[2-oxo-2-(prop-2-enylamino)ethyl] 2,4-dihydroxybenzoate
CID 2645392
[2-(4-ethylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611776
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870700
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870707
[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] 2,4-dihydroxybenzoate
CID 7522782
[2-(4-bromoanilino)-2-oxoethyl] 3,5-dichlorobenzoate
CID 7724337

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromoanilino)-2-oxoethyl] 2,4-dihydroxybenzoate?
The IUPAC name of [2-(4-bromoanilino)-2-oxoethyl] 2,4-dihydroxybenzoate (CID 2536586) is [2-(4-bromoanilino)-2-oxoethyl] 2,4-dihydroxybenzoate.
What is the SMILES notation for [2-(4-bromoanilino)-2-oxoethyl] 2,4-dihydroxybenzoate?
The canonical SMILES for [2-(4-bromoanilino)-2-oxoethyl] 2,4-dihydroxybenzoate is O=C(COC(=O)c1ccc(O)cc1O)Nc1ccc(Br)cc1.
What is the InChIKey of [2-(4-bromoanilino)-2-oxoethyl] 2,4-dihydroxybenzoate?
The InChIKey is LDZKBTMADWZRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO5/c16-9-1-3-10(4-2-9)17-14(20)8-22-15(21)12-6-5-11(18)7-13(12)19/h1-7,18-19H,8H2,(H,17,20).
What are the key properties of [2-(4-bromoanilino)-2-oxoethyl] 2,4-dihydroxybenzoate?
[2-(4-bromoanilino)-2-oxoethyl] 2,4-dihydroxybenzoate has a molecular weight of 366.17 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromoanilino)-2-oxoethyl] 2,4-dihydroxybenzoate is sourced from PubChem (CID 2536586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).