methyl 2-[5-bromo-2-methoxy-3-(methylcarbamoyl)phenyl]-2-methylpropanoate

C14H18BrNO4 — CID 126586385

IUPACmethyl 2-[5-bromo-2-methoxy-3-(methylcarbamoyl)phenyl]-2-methylpropanoate
SMILESCNC(=O)c1cc(Br)cc(C(C)(C)C(=O)OC)c1OC
InChIInChI=1S/C14H18BrNO4/c1-14(2,13(18)20-5)10-7-8(15)6-9(11(10)19-4)12(17)16-3/h6-7H,1-5H3,(H,16,17)
InChIKeyWIKJENRWJJWUIJ-UHFFFAOYSA-N
MW344.21 g/mol
LogP2.27
Rot. Bonds4

About methyl 2-[5-bromo-2-methoxy-3-(methylcarbamoyl)phenyl]-2-methylpropanoate

methyl 2-[5-bromo-2-methoxy-3-(methylcarbamoyl)phenyl]-2-methylpropanoate (PubChem CID 126586385) has the molecular formula C14H18BrNO4 and a molecular weight of 344.21 g/mol. Its IUPAC name is methyl 2-[5-bromo-2-methoxy-3-(methylcarbamoyl)phenyl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[5-bromo-2-methoxy-3-(methylcarbamoyl)phenyl]-2-methylpropanoate
PubChem CID126586385
Molecular FormulaC14H18BrNO4
Molecular Weight344.21 g/mol
Exact Mass343.04
IUPAC Namemethyl 2-[5-bromo-2-methoxy-3-(methylcarbamoyl)phenyl]-2-methylpropanoate
SMILESCNC(=O)c1cc(Br)cc(C(C)(C)C(=O)OC)c1OC
InChIInChI=1S/C14H18BrNO4/c1-14(2,13(18)20-5)10-7-8(15)6-9(11(10)19-4)12(17)16-3/h6-7H,1-5H3,(H,16,17)
InChIKeyWIKJENRWJJWUIJ-UHFFFAOYSA-N
XLogP2.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-methoxy-3-(1-methoxy-2-methyl-1-oxopropan-2-yl)benzoic acid;methyl 2-[5-bromo-3-(hydroxymethyl)-2-methoxyphenyl]-2-methylpropanoate
CID 159918890
methyl 2-(3,5-diiodo-2-methoxyphenyl)-2-methylpropanoate
CID 57419460
methyl 2-(3,5-dibromophenyl)-2-methylpropanoate
CID 69031555
methyl 2-(4-fluoro-2-methoxy-3,5-dimethylphenyl)-2-methylpropanoate
CID 144982422
3-amino-5-tert-butyl-2-methoxy-N-methylbenzamide
CID 23505820
5-formyl-2-methoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 125494637
5-bromo-2-methoxy-N-methylpyridine-3-carboxamide
CID 25114918
2-amino-5-bromo-3-fluoro-N-methylbenzamide
CID 67263746
3,5-dichloro-2-methoxy-N-methylbenzamide
CID 116827624
3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide
CID 5142163
4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]benzoic acid
CID 28674729
N-(4-acetamidophenyl)-5-bromo-2-methoxy-3-methylbenzamide
CID 5153550

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-bromo-2-methoxy-3-(methylcarbamoyl)phenyl]-2-methylpropanoate?
The IUPAC name of methyl 2-[5-bromo-2-methoxy-3-(methylcarbamoyl)phenyl]-2-methylpropanoate (CID 126586385) is methyl 2-[5-bromo-2-methoxy-3-(methylcarbamoyl)phenyl]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[5-bromo-2-methoxy-3-(methylcarbamoyl)phenyl]-2-methylpropanoate?
The canonical SMILES for methyl 2-[5-bromo-2-methoxy-3-(methylcarbamoyl)phenyl]-2-methylpropanoate is CNC(=O)c1cc(Br)cc(C(C)(C)C(=O)OC)c1OC.
What is the InChIKey of methyl 2-[5-bromo-2-methoxy-3-(methylcarbamoyl)phenyl]-2-methylpropanoate?
The InChIKey is WIKJENRWJJWUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO4/c1-14(2,13(18)20-5)10-7-8(15)6-9(11(10)19-4)12(17)16-3/h6-7H,1-5H3,(H,16,17).
What are the key properties of methyl 2-[5-bromo-2-methoxy-3-(methylcarbamoyl)phenyl]-2-methylpropanoate?
methyl 2-[5-bromo-2-methoxy-3-(methylcarbamoyl)phenyl]-2-methylpropanoate has a molecular weight of 344.21 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-bromo-2-methoxy-3-(methylcarbamoyl)phenyl]-2-methylpropanoate is sourced from PubChem (CID 126586385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).