4-[(5-bromo-2-chloroanilino)methyl]-2-fluorophenol

C13H10BrClFNO — CID 107685767

IUPAC4-[(5-bromo-2-chloroanilino)methyl]-2-fluorophenol
SMILESOc1ccc(CNc2cc(Br)ccc2Cl)cc1F
InChIInChI=1S/C13H10BrClFNO/c14-9-2-3-10(15)12(6-9)17-7-8-1-4-13(18)11(16)5-8/h1-6,17-18H,7H2
InChIKeyQXJBPPHIXPWLNK-UHFFFAOYSA-N
MW330.58 g/mol
LogP4.56
Rot. Bonds3

About 4-[(5-bromo-2-chloroanilino)methyl]-2-fluorophenol

4-[(5-bromo-2-chloroanilino)methyl]-2-fluorophenol (PubChem CID 107685767) has the molecular formula C13H10BrClFNO and a molecular weight of 330.58 g/mol. Its IUPAC name is 4-[(5-bromo-2-chloroanilino)methyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[(5-bromo-2-chloroanilino)methyl]-2-fluorophenol
PubChem CID107685767
Molecular FormulaC13H10BrClFNO
Molecular Weight330.58 g/mol
Exact Mass328.96
IUPAC Name4-[(5-bromo-2-chloroanilino)methyl]-2-fluorophenol
SMILESOc1ccc(CNc2cc(Br)ccc2Cl)cc1F
InChIInChI=1S/C13H10BrClFNO/c14-9-2-3-10(15)12(6-9)17-7-8-1-4-13(18)11(16)5-8/h1-6,17-18H,7H2
InChIKeyQXJBPPHIXPWLNK-UHFFFAOYSA-N
XLogP4.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.58
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(5-bromo-2-chloroanilino)methyl]-2-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

4-[(5-bromo-2-chloroanilino)methyl]-2,6-difluorophenol
CID 79891306
5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline
CID 63445396
methyl 4-chloro-3-[(3-fluoro-4-hydroxyphenyl)methylamino]benzoate
CID 107685484
4-[(5-bromo-2,4-difluoroanilino)methyl]-2-fluorophenol
CID 107686072
4-[(5-bromo-2-chloroanilino)methyl]benzonitrile
CID 55130313
5-bromo-2-chloro-N-[(4-cyclopropylphenyl)methyl]aniline
CID 79983845
3-[(5-bromo-2-chloroanilino)methyl]benzoic acid
CID 103249805
4-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-2-fluorophenol
CID 107685350
2-chloro-5-[(3-fluoro-4-hydroxyphenyl)methylamino]benzoic acid
CID 107685555
2-chloro-4-[(4-chloro-3-fluorophenyl)methylamino]phenol
CID 107678415
4-[(3-bromo-4-fluoroanilino)methyl]-2-fluorophenol
CID 107686001
4-[(5-bromo-2-iodoanilino)methyl]benzene-1,2-diol
CID 114259322

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-chloroanilino)methyl]-2-fluorophenol?
The IUPAC name of 4-[(5-bromo-2-chloroanilino)methyl]-2-fluorophenol (CID 107685767) is 4-[(5-bromo-2-chloroanilino)methyl]-2-fluorophenol.
What is the SMILES notation for 4-[(5-bromo-2-chloroanilino)methyl]-2-fluorophenol?
The canonical SMILES for 4-[(5-bromo-2-chloroanilino)methyl]-2-fluorophenol is Oc1ccc(CNc2cc(Br)ccc2Cl)cc1F.
What is the InChIKey of 4-[(5-bromo-2-chloroanilino)methyl]-2-fluorophenol?
The InChIKey is QXJBPPHIXPWLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFNO/c14-9-2-3-10(15)12(6-9)17-7-8-1-4-13(18)11(16)5-8/h1-6,17-18H,7H2.
What are the key properties of 4-[(5-bromo-2-chloroanilino)methyl]-2-fluorophenol?
4-[(5-bromo-2-chloroanilino)methyl]-2-fluorophenol has a molecular weight of 330.58 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-chloroanilino)methyl]-2-fluorophenol is sourced from PubChem (CID 107685767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).