3-[(2,6-dibromoanilino)methyl]-5-fluorophenol

C13H10Br2FNO — CID 107597088

IUPAC3-[(2,6-dibromoanilino)methyl]-5-fluorophenol
SMILESOc1cc(F)cc(CNc2c(Br)cccc2Br)c1
InChIInChI=1S/C13H10Br2FNO/c14-11-2-1-3-12(15)13(11)17-7-8-4-9(16)6-10(18)5-8/h1-6,17-18H,7H2
InChIKeySBWGTTPFSSZHIA-UHFFFAOYSA-N
MW375.04 g/mol
LogP4.67
Rot. Bonds3

About 3-[(2,6-dibromoanilino)methyl]-5-fluorophenol

3-[(2,6-dibromoanilino)methyl]-5-fluorophenol (PubChem CID 107597088) has the molecular formula C13H10Br2FNO and a molecular weight of 375.04 g/mol. Its IUPAC name is 3-[(2,6-dibromoanilino)methyl]-5-fluorophenol.

Molecular Properties

Compound Name3-[(2,6-dibromoanilino)methyl]-5-fluorophenol
PubChem CID107597088
Molecular FormulaC13H10Br2FNO
Molecular Weight375.04 g/mol
Exact Mass372.91
IUPAC Name3-[(2,6-dibromoanilino)methyl]-5-fluorophenol
SMILESOc1cc(F)cc(CNc2c(Br)cccc2Br)c1
InChIInChI=1S/C13H10Br2FNO/c14-11-2-1-3-12(15)13(11)17-7-8-4-9(16)6-10(18)5-8/h1-6,17-18H,7H2
InChIKeySBWGTTPFSSZHIA-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

Analyze 3-[(2,6-dibromoanilino)methyl]-5-fluorophenol with MolForge

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

Launch Full Analysis

Related Compounds

2,6-dibromo-N-[(3-fluoro-5-nitrophenyl)methyl]aniline
CID 107598763
3-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-fluorophenol
CID 107591256
4-[(2-bromo-4,6-difluoroanilino)methyl]-2,6-difluorophenol
CID 79891767
2-bromo-6-chloro-N-[(3,5-difluorophenyl)methyl]-4-fluoroaniline
CID 107610048
2,6-dibromo-N-[(3,4-dichlorophenyl)methyl]aniline
CID 107597647
methyl 4-[(2,6-dibromoanilino)methyl]-2-fluorobenzoate
CID 107601031
4-[(3-fluoro-5-hydroxyphenyl)methylamino]-2,5-dimethylphenol
CID 106953697
2-bromo-6-[(2-bromo-6-chloro-4-fluoroanilino)methyl]phenol
CID 107610553
2,6-dibromo-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]aniline
CID 107597623
2,6-dibromo-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]aniline
CID 107597318
N-[(3-bromo-5-fluorophenyl)methyl]-3-fluoroaniline
CID 79710160
4-[(2-bromoanilino)methyl]-2,6-difluorophenol
CID 79886224

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dibromoanilino)methyl]-5-fluorophenol?
The IUPAC name of 3-[(2,6-dibromoanilino)methyl]-5-fluorophenol (CID 107597088) is 3-[(2,6-dibromoanilino)methyl]-5-fluorophenol.
What is the SMILES notation for 3-[(2,6-dibromoanilino)methyl]-5-fluorophenol?
The canonical SMILES for 3-[(2,6-dibromoanilino)methyl]-5-fluorophenol is Oc1cc(F)cc(CNc2c(Br)cccc2Br)c1.
What is the InChIKey of 3-[(2,6-dibromoanilino)methyl]-5-fluorophenol?
The InChIKey is SBWGTTPFSSZHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2FNO/c14-11-2-1-3-12(15)13(11)17-7-8-4-9(16)6-10(18)5-8/h1-6,17-18H,7H2.
What are the key properties of 3-[(2,6-dibromoanilino)methyl]-5-fluorophenol?
3-[(2,6-dibromoanilino)methyl]-5-fluorophenol 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 3-[(2,6-dibromoanilino)methyl]-5-fluorophenol is sourced from PubChem (CID 107597088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).