2,4-dibromo-6-[(4-fluoroanilino)methyl]phenol

C13H10Br2FNO — CID 1491422

IUPAC2,4-dibromo-6-[(4-fluoroanilino)methyl]phenol
SMILESOc1c(Br)cc(Br)cc1CNc1ccc(F)cc1
InChIInChI=1S/C13H10Br2FNO/c14-9-5-8(13(18)12(15)6-9)7-17-11-3-1-10(16)2-4-11/h1-6,17-18H,7H2
InChIKeyRSAVHLHUQZXMTJ-UHFFFAOYSA-N
MW375.04 g/mol
LogP4.67
Rot. Bonds3

About 2,4-dibromo-6-[(4-fluoroanilino)methyl]phenol

2,4-dibromo-6-[(4-fluoroanilino)methyl]phenol (PubChem CID 1491422) has the molecular formula C13H10Br2FNO and a molecular weight of 375.04 g/mol. Its IUPAC name is 2,4-dibromo-6-[(4-fluoroanilino)methyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(4-fluoroanilino)methyl]phenol
PubChem CID1491422
Molecular FormulaC13H10Br2FNO
Molecular Weight375.04 g/mol
Exact Mass372.91
IUPAC Name2,4-dibromo-6-[(4-fluoroanilino)methyl]phenol
SMILESOc1c(Br)cc(Br)cc1CNc1ccc(F)cc1
InChIInChI=1S/C13H10Br2FNO/c14-9-5-8(13(18)12(15)6-9)7-17-11-3-1-10(16)2-4-11/h1-6,17-18H,7H2
InChIKeyRSAVHLHUQZXMTJ-UHFFFAOYSA-N
XLogP4.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.04
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2,4-dibromo-6-[(4-fluoroanilino)methyl]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 2,4-dibromo-6-[(4-fluoroanilino)methyl]phenol?
The IUPAC name of 2,4-dibromo-6-[(4-fluoroanilino)methyl]phenol (CID 1491422) is 2,4-dibromo-6-[(4-fluoroanilino)methyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(4-fluoroanilino)methyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(4-fluoroanilino)methyl]phenol is Oc1c(Br)cc(Br)cc1CNc1ccc(F)cc1.
What is the InChIKey of 2,4-dibromo-6-[(4-fluoroanilino)methyl]phenol?
The InChIKey is RSAVHLHUQZXMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2FNO/c14-9-5-8(13(18)12(15)6-9)7-17-11-3-1-10(16)2-4-11/h1-6,17-18H,7H2.
What are the key properties of 2,4-dibromo-6-[(4-fluoroanilino)methyl]phenol?
2,4-dibromo-6-[(4-fluoroanilino)methyl]phenol has a molecular weight of 375.04 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[(4-fluoroanilino)methyl]phenol is sourced from PubChem (CID 1491422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).