2-[(2-bromo-5-fluorobenzoyl)amino]-2-methylpropanoic acid

C11H11BrFNO3 — CID 61262982

IUPAC2-[(2-bromo-5-fluorobenzoyl)amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1cc(F)ccc1Br)C(=O)O
InChIInChI=1S/C11H11BrFNO3/c1-11(2,10(16)17)14-9(15)7-5-6(13)3-4-8(7)12/h3-5H,1-2H3,(H,14,15)(H,16,17)
InChIKeyXQDBMUCWCXBODK-UHFFFAOYSA-N
MW304.12 g/mol
LogP2.18
Rot. Bonds3

About 2-[(2-bromo-5-fluorobenzoyl)amino]-2-methylpropanoic acid

2-[(2-bromo-5-fluorobenzoyl)amino]-2-methylpropanoic acid (PubChem CID 61262982) has the molecular formula C11H11BrFNO3 and a molecular weight of 304.12 g/mol. Its IUPAC name is 2-[(2-bromo-5-fluorobenzoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-bromo-5-fluorobenzoyl)amino]-2-methylpropanoic acid
PubChem CID61262982
Molecular FormulaC11H11BrFNO3
Molecular Weight304.12 g/mol
Exact Mass302.99
IUPAC Name2-[(2-bromo-5-fluorobenzoyl)amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1cc(F)ccc1Br)C(=O)O
InChIInChI=1S/C11H11BrFNO3/c1-11(2,10(16)17)14-9(15)7-5-6(13)3-4-8(7)12/h3-5H,1-2H3,(H,14,15)(H,16,17)
InChIKeyXQDBMUCWCXBODK-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.12
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromo-5-fluorobenzoyl)amino]-2-ethylbutanoic acid
CID 79806832
3-[(2-bromo-5-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 64672122
2-bromo-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 14002103
methyl (2R)-2-[(2-bromo-5-fluorobenzoyl)amino]-2-methylbutanoate
CID 94800835
N-(2-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide
CID 81483150
2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 45122380
2-bromo-5-fluoro-N',N'-dimethylbenzohydrazide
CID 9180913
2-bromo-N-(3-chloro-2,2-dimethylpropyl)-5-fluorobenzamide
CID 115364720
2-bromo-N-(2,2-dimethylbutyl)-5-fluorobenzamide
CID 103461894
2-[(2-fluoro-3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 81481164
2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-5-fluorobenzamide
CID 66169373
1-(2-bromo-5-fluorophenyl)ethanone
CID 22736080

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-fluorobenzoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2-bromo-5-fluorobenzoyl)amino]-2-methylpropanoic acid (CID 61262982) is 2-[(2-bromo-5-fluorobenzoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-bromo-5-fluorobenzoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-bromo-5-fluorobenzoyl)amino]-2-methylpropanoic acid is CC(C)(NC(=O)c1cc(F)ccc1Br)C(=O)O.
What is the InChIKey of 2-[(2-bromo-5-fluorobenzoyl)amino]-2-methylpropanoic acid?
The InChIKey is XQDBMUCWCXBODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO3/c1-11(2,10(16)17)14-9(15)7-5-6(13)3-4-8(7)12/h3-5H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(2-bromo-5-fluorobenzoyl)amino]-2-methylpropanoic acid?
2-[(2-bromo-5-fluorobenzoyl)amino]-2-methylpropanoic acid has a molecular weight of 304.12 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-fluorobenzoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 61262982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).