4-[1-(5-bromo-2-fluoroanilino)ethyl]phenol

C14H13BrFNO — CID 43555406

IUPAC4-[1-(5-bromo-2-fluoroanilino)ethyl]phenol
SMILESCC(Nc1cc(Br)ccc1F)c1ccc(O)cc1
InChIInChI=1S/C14H13BrFNO/c1-9(10-2-5-12(18)6-3-10)17-14-8-11(15)4-7-13(14)16/h2-9,17-18H,1H3
InChIKeyDRMFPTCALQRZAF-UHFFFAOYSA-N
MW310.17 g/mol
LogP4.47
Rot. Bonds3

About 4-[1-(5-bromo-2-fluoroanilino)ethyl]phenol

4-[1-(5-bromo-2-fluoroanilino)ethyl]phenol (PubChem CID 43555406) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 4-[1-(5-bromo-2-fluoroanilino)ethyl]phenol.

Molecular Properties

Compound Name4-[1-(5-bromo-2-fluoroanilino)ethyl]phenol
PubChem CID43555406
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name4-[1-(5-bromo-2-fluoroanilino)ethyl]phenol
SMILESCC(Nc1cc(Br)ccc1F)c1ccc(O)cc1
InChIInChI=1S/C14H13BrFNO/c1-9(10-2-5-12(18)6-3-10)17-14-8-11(15)4-7-13(14)16/h2-9,17-18H,1H3
InChIKeyDRMFPTCALQRZAF-UHFFFAOYSA-N
XLogP4.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[1-(5-bromo-2-fluoroanilino)ethyl]phenol 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 4-[1-(5-bromo-2-fluoroanilino)ethyl]phenol?
The IUPAC name of 4-[1-(5-bromo-2-fluoroanilino)ethyl]phenol (CID 43555406) is 4-[1-(5-bromo-2-fluoroanilino)ethyl]phenol.
What is the SMILES notation for 4-[1-(5-bromo-2-fluoroanilino)ethyl]phenol?
The canonical SMILES for 4-[1-(5-bromo-2-fluoroanilino)ethyl]phenol is CC(Nc1cc(Br)ccc1F)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(5-bromo-2-fluoroanilino)ethyl]phenol?
The InChIKey is DRMFPTCALQRZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c1-9(10-2-5-12(18)6-3-10)17-14-8-11(15)4-7-13(14)16/h2-9,17-18H,1H3.
What are the key properties of 4-[1-(5-bromo-2-fluoroanilino)ethyl]phenol?
4-[1-(5-bromo-2-fluoroanilino)ethyl]phenol has a molecular weight of 310.17 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-bromo-2-fluoroanilino)ethyl]phenol is sourced from PubChem (CID 43555406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).