[2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-hydroxybenzoate

C16H14BrNO4 — CID 2628190

IUPAC[2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
SMILESCc1cc(Br)ccc1NC(=O)COC(=O)c1cccc(O)c1
InChIInChI=1S/C16H14BrNO4/c1-10-7-12(17)5-6-14(10)18-15(20)9-22-16(21)11-3-2-4-13(19)8-11/h2-8,19H,9H2,1H3,(H,18,20)
InChIKeyDNLGLZPHLVZJDU-UHFFFAOYSA-N
MW364.20 g/mol
LogP3.26
Rot. Bonds4

About [2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-hydroxybenzoate

[2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-hydroxybenzoate (PubChem CID 2628190) has the molecular formula C16H14BrNO4 and a molecular weight of 364.20 g/mol. Its IUPAC name is [2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-hydroxybenzoate.

Molecular Properties

Compound Name[2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
PubChem CID2628190
Molecular FormulaC16H14BrNO4
Molecular Weight364.20 g/mol
Exact Mass363.01
IUPAC Name[2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
SMILESCc1cc(Br)ccc1NC(=O)COC(=O)c1cccc(O)c1
InChIInChI=1S/C16H14BrNO4/c1-10-7-12(17)5-6-14(10)18-15(20)9-22-16(21)11-3-2-4-13(19)8-11/h2-8,19H,9H2,1H3,(H,18,20)
InChIKeyDNLGLZPHLVZJDU-UHFFFAOYSA-N
XLogP3.26
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628242
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-hydroxybenzoate
CID 7485046
[2-(2,5-dimethylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628830
[2-(3-bromoanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628239
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654281
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2515914
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-(cyclopropylsulfamoyl)benzoate
CID 46809010
[2-(3-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628228
methyl 2-[[2-(3-hydroxybenzoyl)oxyacetyl]amino]benzoate
CID 2431988
[2-(2-ethylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 7483736
3-O-[2-(2,4-dimethylanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860621
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8549433

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-hydroxybenzoate?
The IUPAC name of [2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-hydroxybenzoate (CID 2628190) is [2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-hydroxybenzoate.
What is the SMILES notation for [2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-hydroxybenzoate?
The canonical SMILES for [2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-hydroxybenzoate is Cc1cc(Br)ccc1NC(=O)COC(=O)c1cccc(O)c1.
What is the InChIKey of [2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-hydroxybenzoate?
The InChIKey is DNLGLZPHLVZJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO4/c1-10-7-12(17)5-6-14(10)18-15(20)9-22-16(21)11-3-2-4-13(19)8-11/h2-8,19H,9H2,1H3,(H,18,20).
What are the key properties of [2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-hydroxybenzoate?
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-hydroxybenzoate has a molecular weight of 364.20 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-hydroxybenzoate is sourced from PubChem (CID 2628190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).