3-[(2-bromo-4-fluorobenzoyl)amino]-2-methylpropanoic acid

C11H11BrFNO3 — CID 62675482

IUPAC3-[(2-bromo-4-fluorobenzoyl)amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)c1ccc(F)cc1Br)C(=O)O
InChIInChI=1S/C11H11BrFNO3/c1-6(11(16)17)5-14-10(15)8-3-2-7(13)4-9(8)12/h2-4,6H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeySYCARSWHCYRXIM-UHFFFAOYSA-N
MW304.12 g/mol
LogP2.04
Rot. Bonds4

About 3-[(2-bromo-4-fluorobenzoyl)amino]-2-methylpropanoic acid

3-[(2-bromo-4-fluorobenzoyl)amino]-2-methylpropanoic acid (PubChem CID 62675482) has the molecular formula C11H11BrFNO3 and a molecular weight of 304.12 g/mol. Its IUPAC name is 3-[(2-bromo-4-fluorobenzoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-bromo-4-fluorobenzoyl)amino]-2-methylpropanoic acid
PubChem CID62675482
Molecular FormulaC11H11BrFNO3
Molecular Weight304.12 g/mol
Exact Mass302.99
IUPAC Name3-[(2-bromo-4-fluorobenzoyl)amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)c1ccc(F)cc1Br)C(=O)O
InChIInChI=1S/C11H11BrFNO3/c1-6(11(16)17)5-14-10(15)8-3-2-7(13)4-9(8)12/h2-4,6H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeySYCARSWHCYRXIM-UHFFFAOYSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.12
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-bromo-4-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 81064448
2-bromo-4-fluoro-N-(2-methylbutyl)benzamide
CID 62693317
2-bromo-4-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 78965919
2-[[(2-bromo-4-fluorobenzoyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107473735
(3S)-3-[[(2-bromo-4-fluorobenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65493880
6-[(2-bromo-4-fluorobenzoyl)amino]-2-methylheptanoic acid
CID 65285579
2-bromo-4-fluoro-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 60666175
2-bromo-4-fluoro-N-(3-methylbutyl)benzamide
CID 24700389
3-[(5-bromo-2-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 62677096
2-bromo-N-(2,3-dihydroxypropyl)-4-fluorobenzamide
CID 66175984
2-[(2-bromo-4-fluorobenzoyl)amino]propanoic acid
CID 16778204
2-bromo-4-fluoro-N-(2-phenylbutyl)benzamide
CID 55391050

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-4-fluorobenzoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2-bromo-4-fluorobenzoyl)amino]-2-methylpropanoic acid (CID 62675482) is 3-[(2-bromo-4-fluorobenzoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-bromo-4-fluorobenzoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-bromo-4-fluorobenzoyl)amino]-2-methylpropanoic acid is CC(CNC(=O)c1ccc(F)cc1Br)C(=O)O.
What is the InChIKey of 3-[(2-bromo-4-fluorobenzoyl)amino]-2-methylpropanoic acid?
The InChIKey is SYCARSWHCYRXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO3/c1-6(11(16)17)5-14-10(15)8-3-2-7(13)4-9(8)12/h2-4,6H,5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-[(2-bromo-4-fluorobenzoyl)amino]-2-methylpropanoic acid?
3-[(2-bromo-4-fluorobenzoyl)amino]-2-methylpropanoic acid has a molecular weight of 304.12 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-4-fluorobenzoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62675482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).