[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5-bromo-2-hydroxybenzoate

C17H15BrN2O6 — CID 16525432

IUPAC[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5-bromo-2-hydroxybenzoate
SMILESCOc1ccc(NC(=O)NC(=O)COC(=O)c2cc(Br)ccc2O)cc1
InChIInChI=1S/C17H15BrN2O6/c1-25-12-5-3-11(4-6-12)19-17(24)20-15(22)9-26-16(23)13-8-10(18)2-7-14(13)21/h2-8,21H,9H2,1H3,(H2,19,20,22,24)
InChIKeyVTHAZOMMPUEBLY-UHFFFAOYSA-N
MW423.22 g/mol
LogP2.67
Rot. Bonds5

About [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5-bromo-2-hydroxybenzoate

[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5-bromo-2-hydroxybenzoate (PubChem CID 16525432) has the molecular formula C17H15BrN2O6 and a molecular weight of 423.22 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5-bromo-2-hydroxybenzoate.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5-bromo-2-hydroxybenzoate
PubChem CID16525432
Molecular FormulaC17H15BrN2O6
Molecular Weight423.22 g/mol
Exact Mass422.01
IUPAC Name[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5-bromo-2-hydroxybenzoate
SMILESCOc1ccc(NC(=O)NC(=O)COC(=O)c2cc(Br)ccc2O)cc1
InChIInChI=1S/C17H15BrN2O6/c1-25-12-5-3-11(4-6-12)19-17(24)20-15(22)9-26-16(23)13-8-10(18)2-7-14(13)21/h2-8,21H,9H2,1H3,(H2,19,20,22,24)
InChIKeyVTHAZOMMPUEBLY-UHFFFAOYSA-N
XLogP2.67
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.22
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3,5-dimethoxyanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 16525429
[2-(4-methoxyphenyl)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 7365642
5-bromo-2-hydroxy-N-(4-methoxyphenyl)benzamide
CID 14963005
[2-(4-methoxyanilino)-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 2530910
[2-(2-methoxyethylamino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 7365593
[2-(tert-butylamino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 2630341
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 4841465
[2-(4-bromophenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 7442136
[2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 2630367
[2-(2,3-dimethylanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 7365657
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 16506360
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 7404874

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5-bromo-2-hydroxybenzoate?
The IUPAC name of [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5-bromo-2-hydroxybenzoate (CID 16525432) is [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5-bromo-2-hydroxybenzoate.
What is the SMILES notation for [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5-bromo-2-hydroxybenzoate?
The canonical SMILES for [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5-bromo-2-hydroxybenzoate is COc1ccc(NC(=O)NC(=O)COC(=O)c2cc(Br)ccc2O)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5-bromo-2-hydroxybenzoate?
The InChIKey is VTHAZOMMPUEBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O6/c1-25-12-5-3-11(4-6-12)19-17(24)20-15(22)9-26-16(23)13-8-10(18)2-7-14(13)21/h2-8,21H,9H2,1H3,(H2,19,20,22,24).
What are the key properties of [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5-bromo-2-hydroxybenzoate?
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5-bromo-2-hydroxybenzoate has a molecular weight of 423.22 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5-bromo-2-hydroxybenzoate is sourced from PubChem (CID 16525432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).