methyl 3-[(4-bromo-2-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoate

C13H16BrNO5 — CID 122146105

IUPACmethyl 3-[(4-bromo-2-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)(O)CNC(=O)c1ccc(Br)cc1OC
InChIInChI=1S/C13H16BrNO5/c1-13(18,12(17)20-3)7-15-11(16)9-5-4-8(14)6-10(9)19-2/h4-6,18H,7H2,1-3H3,(H,15,16)
InChIKeyQAKWOPNJFJCZKQ-UHFFFAOYSA-N
MW346.18 g/mol
LogP1.11
Rot. Bonds5

About methyl 3-[(4-bromo-2-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoate

methyl 3-[(4-bromo-2-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoate (PubChem CID 122146105) has the molecular formula C13H16BrNO5 and a molecular weight of 346.18 g/mol. Its IUPAC name is methyl 3-[(4-bromo-2-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(4-bromo-2-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoate
PubChem CID122146105
Molecular FormulaC13H16BrNO5
Molecular Weight346.18 g/mol
Exact Mass345.02
IUPAC Namemethyl 3-[(4-bromo-2-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)(O)CNC(=O)c1ccc(Br)cc1OC
InChIInChI=1S/C13H16BrNO5/c1-13(18,12(17)20-3)7-15-11(16)9-5-4-8(14)6-10(9)19-2/h4-6,18H,7H2,1-3H3,(H,15,16)
InChIKeyQAKWOPNJFJCZKQ-UHFFFAOYSA-N
XLogP1.11
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(4-bromo-2-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide
CID 81482472
4-bromo-2-methoxy-N-(2,2,3-trimethylbutyl)benzamide
CID 114100346
4-bromo-2-methoxy-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79676470
4-bromo-N-(2,2-dimethylheptyl)-2-methoxybenzamide
CID 115369323
4-bromo-N-(2-bromoethyl)-2-methoxybenzamide
CID 115369513
[(4-bromo-2-methoxybenzoyl)amino] 2,2-dimethylpropanoate
CID 146273207
4-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 115369210
4-bromo-2-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 78987486
4-bromo-2-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 78987462
4-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 22346935
4-bromo-2-methoxy-N-(2-methylsulfanylethyl)benzamide
CID 78987502
4-bromo-2-methoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906384

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-bromo-2-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoate?
The IUPAC name of methyl 3-[(4-bromo-2-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoate (CID 122146105) is methyl 3-[(4-bromo-2-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(4-bromo-2-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoate?
The canonical SMILES for methyl 3-[(4-bromo-2-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoate is COC(=O)C(C)(O)CNC(=O)c1ccc(Br)cc1OC.
What is the InChIKey of methyl 3-[(4-bromo-2-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoate?
The InChIKey is QAKWOPNJFJCZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO5/c1-13(18,12(17)20-3)7-15-11(16)9-5-4-8(14)6-10(9)19-2/h4-6,18H,7H2,1-3H3,(H,15,16).
What are the key properties of methyl 3-[(4-bromo-2-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoate?
methyl 3-[(4-bromo-2-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoate has a molecular weight of 346.18 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-bromo-2-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 122146105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).