2-[4-bromo-2-(dimethylcarbamoyl)phenyl]acetic acid

C11H12BrNO3 — CID 69249944

IUPAC2-[4-bromo-2-(dimethylcarbamoyl)phenyl]acetic acid
SMILESCN(C)C(=O)c1cc(Br)ccc1CC(=O)O
InChIInChI=1S/C11H12BrNO3/c1-13(2)11(16)9-6-8(12)4-3-7(9)5-10(14)15/h3-4,6H,5H2,1-2H3,(H,14,15)
InChIKeyVJYICAGXAGWODR-UHFFFAOYSA-N
MW286.13 g/mol
LogP1.78
Rot. Bonds3

About 2-[4-bromo-2-(dimethylcarbamoyl)phenyl]acetic acid

2-[4-bromo-2-(dimethylcarbamoyl)phenyl]acetic acid (PubChem CID 69249944) has the molecular formula C11H12BrNO3 and a molecular weight of 286.13 g/mol. Its IUPAC name is 2-[4-bromo-2-(dimethylcarbamoyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-bromo-2-(dimethylcarbamoyl)phenyl]acetic acid
PubChem CID69249944
Molecular FormulaC11H12BrNO3
Molecular Weight286.13 g/mol
Exact Mass285.00
IUPAC Name2-[4-bromo-2-(dimethylcarbamoyl)phenyl]acetic acid
SMILESCN(C)C(=O)c1cc(Br)ccc1CC(=O)O
InChIInChI=1S/C11H12BrNO3/c1-13(2)11(16)9-6-8(12)4-3-7(9)5-10(14)15/h3-4,6H,5H2,1-2H3,(H,14,15)
InChIKeyVJYICAGXAGWODR-UHFFFAOYSA-N
XLogP1.78
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(carboxymethyl)benzoic acid
CID 10634987
5-bromo-2-fluorobenzoic acid;5-bromo-2-fluoro-N,N-dimethylbenzamide
CID 158616981
2-[(2-amino-5-bromobenzoyl)-methylamino]acetic acid
CID 82547324
2-amino-4-bromo-N,N-dimethylbenzamide
CID 79714600
2-[(2,5-dibromobenzoyl)-methylamino]acetic acid
CID 114367825
2-(4-bromo-2-methylsulfanylphenyl)acetic acid
CID 90299181
2-[5-bromo-2-(sulfanylmethyl)phenyl]acetic acid
CID 91874414
3-(4-bromo-2-methylphenyl)propanoic acid
CID 69202839
5-bromo-N,N-dimethyl-1H-indole-3-carboxamide
CID 22934720
2-[4-(dimethylcarbamoyl)-2-fluorophenyl]acetic acid
CID 70501184
2-[5-bromo-2-(2-chloropropanoyl)phenyl]acetic acid
CID 134629317
2,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]benzamide
CID 114368349

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(dimethylcarbamoyl)phenyl]acetic acid?
The IUPAC name of 2-[4-bromo-2-(dimethylcarbamoyl)phenyl]acetic acid (CID 69249944) is 2-[4-bromo-2-(dimethylcarbamoyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-bromo-2-(dimethylcarbamoyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-bromo-2-(dimethylcarbamoyl)phenyl]acetic acid is CN(C)C(=O)c1cc(Br)ccc1CC(=O)O.
What is the InChIKey of 2-[4-bromo-2-(dimethylcarbamoyl)phenyl]acetic acid?
The InChIKey is VJYICAGXAGWODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3/c1-13(2)11(16)9-6-8(12)4-3-7(9)5-10(14)15/h3-4,6H,5H2,1-2H3,(H,14,15).
What are the key properties of 2-[4-bromo-2-(dimethylcarbamoyl)phenyl]acetic acid?
2-[4-bromo-2-(dimethylcarbamoyl)phenyl]acetic acid has a molecular weight of 286.13 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(dimethylcarbamoyl)phenyl]acetic acid is sourced from PubChem (CID 69249944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).