2-[(2-bromo-4-fluorobenzoyl)amino]propanoic acid

C10H9BrFNO3 — CID 16778204

IUPAC2-[(2-bromo-4-fluorobenzoyl)amino]propanoic acid
SMILESCC(NC(=O)c1ccc(F)cc1Br)C(=O)O
InChIInChI=1S/C10H9BrFNO3/c1-5(10(15)16)13-9(14)7-3-2-6(12)4-8(7)11/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyCIUUGAMDCIOJIA-UHFFFAOYSA-N
MW290.09 g/mol
LogP1.79
Rot. Bonds3

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

2-[(2-bromo-4-fluorobenzoyl)amino]propanoic acid (PubChem CID 16778204) has the molecular formula C10H9BrFNO3 and a molecular weight of 290.09 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorobenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorobenzoyl)amino]propanoic acid
PubChem CID16778204
Molecular FormulaC10H9BrFNO3
Molecular Weight290.09 g/mol
Exact Mass288.97
IUPAC Name2-[(2-bromo-4-fluorobenzoyl)amino]propanoic acid
SMILESCC(NC(=O)c1ccc(F)cc1Br)C(=O)O
InChIInChI=1S/C10H9BrFNO3/c1-5(10(15)16)13-9(14)7-3-2-6(12)4-8(7)11/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyCIUUGAMDCIOJIA-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.09
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-2-[(2-bromo-4-fluorobenzoyl)amino]propanoate
CID 61141421
(2S)-2-[(2,4-dibromobenzoyl)amino]propanoic acid
CID 107937824
ethyl 2-[(2-bromo-4-fluorobenzoyl)amino]propanoate
CID 61498783
(2S)-2-[(2-bromo-4-chlorobenzoyl)amino]propanoic acid
CID 103821374
2-bromo-4-fluoro-N-(1-phenylethyl)benzamide
CID 24708890
2-bromo-4-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 51206303
6-[(2-bromo-4-fluorobenzoyl)amino]-2-methylheptanoic acid
CID 65285579
2-[(2-bromo-4-fluorobenzoyl)amino]pentanoic acid
CID 43630288
2-bromo-4-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 46579861
3-[(2-bromo-4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 62675482
5-[(2-bromo-4-fluorobenzoyl)amino]hexanoic acid
CID 82854455
N-benzhydryl-2-bromo-4-fluorobenzamide
CID 9192491

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorobenzoyl)amino]propanoic acid?
The IUPAC name of 2-[(2-bromo-4-fluorobenzoyl)amino]propanoic acid (CID 16778204) is 2-[(2-bromo-4-fluorobenzoyl)amino]propanoic acid.
What is the SMILES notation for 2-[(2-bromo-4-fluorobenzoyl)amino]propanoic acid?
The canonical SMILES for 2-[(2-bromo-4-fluorobenzoyl)amino]propanoic acid is CC(NC(=O)c1ccc(F)cc1Br)C(=O)O.
What is the InChIKey of 2-[(2-bromo-4-fluorobenzoyl)amino]propanoic acid?
The InChIKey is CIUUGAMDCIOJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNO3/c1-5(10(15)16)13-9(14)7-3-2-6(12)4-8(7)11/h2-5H,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(2-bromo-4-fluorobenzoyl)amino]propanoic acid?
2-[(2-bromo-4-fluorobenzoyl)amino]propanoic acid has a molecular weight of 290.09 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluorobenzoyl)amino]propanoic acid is sourced from PubChem (CID 16778204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).