2-[2-bromo-4-(1-fluoroethyl)anilino]acetic acid

C10H11BrFNO2 — CID 115051010

IUPAC2-[2-bromo-4-(1-fluoroethyl)anilino]acetic acid
SMILESCC(F)c1ccc(NCC(=O)O)c(Br)c1
InChIInChI=1S/C10H11BrFNO2/c1-6(12)7-2-3-9(8(11)4-7)13-5-10(14)15/h2-4,6,13H,5H2,1H3,(H,14,15)
InChIKeyXEAVUZRELPLPHU-UHFFFAOYSA-N
MW276.11 g/mol
LogP2.98
Rot. Bonds4

About 2-[2-bromo-4-(1-fluoroethyl)anilino]acetic acid

2-[2-bromo-4-(1-fluoroethyl)anilino]acetic acid (PubChem CID 115051010) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.11 g/mol. Its IUPAC name is 2-[2-bromo-4-(1-fluoroethyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[2-bromo-4-(1-fluoroethyl)anilino]acetic acid
PubChem CID115051010
Molecular FormulaC10H11BrFNO2
Molecular Weight276.11 g/mol
Exact Mass275.00
IUPAC Name2-[2-bromo-4-(1-fluoroethyl)anilino]acetic acid
SMILESCC(F)c1ccc(NCC(=O)O)c(Br)c1
InChIInChI=1S/C10H11BrFNO2/c1-6(12)7-2-3-9(8(11)4-7)13-5-10(14)15/h2-4,6,13H,5H2,1H3,(H,14,15)
InChIKeyXEAVUZRELPLPHU-UHFFFAOYSA-N
XLogP2.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.11
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-bromo-4-(1-fluoroethyl)anilino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-(1-fluoroethyl)anilino]acetic acid?
The IUPAC name of 2-[2-bromo-4-(1-fluoroethyl)anilino]acetic acid (CID 115051010) is 2-[2-bromo-4-(1-fluoroethyl)anilino]acetic acid.
What is the SMILES notation for 2-[2-bromo-4-(1-fluoroethyl)anilino]acetic acid?
The canonical SMILES for 2-[2-bromo-4-(1-fluoroethyl)anilino]acetic acid is CC(F)c1ccc(NCC(=O)O)c(Br)c1.
What is the InChIKey of 2-[2-bromo-4-(1-fluoroethyl)anilino]acetic acid?
The InChIKey is XEAVUZRELPLPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2/c1-6(12)7-2-3-9(8(11)4-7)13-5-10(14)15/h2-4,6,13H,5H2,1H3,(H,14,15).
What are the key properties of 2-[2-bromo-4-(1-fluoroethyl)anilino]acetic acid?
2-[2-bromo-4-(1-fluoroethyl)anilino]acetic acid has a molecular weight of 276.11 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-(1-fluoroethyl)anilino]acetic acid is sourced from PubChem (CID 115051010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).