2-(5-bromo-2-fluoroanilino)acetic acid

C8H7BrFNO2 — CID 43555633

IUPAC2-(5-bromo-2-fluoroanilino)acetic acid
SMILESO=C(O)CNc1cc(Br)ccc1F
InChIInChI=1S/C8H7BrFNO2/c9-5-1-2-6(10)7(3-5)11-4-8(12)13/h1-3,11H,4H2,(H,12,13)
InChIKeyUPCYNEWLKLHUJW-UHFFFAOYSA-N
MW248.05 g/mol
LogP2.08
Rot. Bonds3

About 2-(5-bromo-2-fluoroanilino)acetic acid

2-(5-bromo-2-fluoroanilino)acetic acid (PubChem CID 43555633) has the molecular formula C8H7BrFNO2 and a molecular weight of 248.05 g/mol. Its IUPAC name is 2-(5-bromo-2-fluoroanilino)acetic acid.

Molecular Properties

Compound Name2-(5-bromo-2-fluoroanilino)acetic acid
PubChem CID43555633
Molecular FormulaC8H7BrFNO2
Molecular Weight248.05 g/mol
Exact Mass246.96
IUPAC Name2-(5-bromo-2-fluoroanilino)acetic acid
SMILESO=C(O)CNc1cc(Br)ccc1F
InChIInChI=1S/C8H7BrFNO2/c9-5-1-2-6(10)7(3-5)11-4-8(12)13/h1-3,11H,4H2,(H,12,13)
InChIKeyUPCYNEWLKLHUJW-UHFFFAOYSA-N
XLogP2.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.05
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromo-2-fluoroanilino)methyl]prop-2-enoic acid
CID 103238968
2-(5-bromo-2-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 43555709
3-(5-bromo-2-fluoroanilino)-2,2-dimethylpropanoic acid
CID 79623525
3-(5-bromo-2-fluoroanilino)butanoic acid
CID 43555615
2-(2-amino-4-bromoanilino)acetic acid
CID 62253312
2-(5-bromo-2-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 54957373
2-acetamido-3-(5-bromo-2-fluoroanilino)propanoic acid
CID 64582664
3-[(5-bromo-2-fluorophenyl)sulfamoyl]propanoic acid
CID 43555611
N-(5-bromo-2-fluorophenyl)-2,2-dimethylpropanamide
CID 63939054
(2R)-1-(5-bromo-2-fluoroanilino)propan-2-ol
CID 93345470
3-amino-4-(5-bromo-2-fluoroanilino)-4-oxobutanoic acid
CID 64895277
4-(5-bromo-2-fluoroanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 65302137

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluoroanilino)acetic acid?
The IUPAC name of 2-(5-bromo-2-fluoroanilino)acetic acid (CID 43555633) is 2-(5-bromo-2-fluoroanilino)acetic acid.
What is the SMILES notation for 2-(5-bromo-2-fluoroanilino)acetic acid?
The canonical SMILES for 2-(5-bromo-2-fluoroanilino)acetic acid is O=C(O)CNc1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluoroanilino)acetic acid?
The InChIKey is UPCYNEWLKLHUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFNO2/c9-5-1-2-6(10)7(3-5)11-4-8(12)13/h1-3,11H,4H2,(H,12,13).
What are the key properties of 2-(5-bromo-2-fluoroanilino)acetic acid?
2-(5-bromo-2-fluoroanilino)acetic acid has a molecular weight of 248.05 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluoroanilino)acetic acid is sourced from PubChem (CID 43555633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).