5-(N-(3-bromophenyl)-3-fluoroanilino)benzene-1,3-diol

C18H13BrFNO2 — CID 10948752

IUPAC5-(N-(3-bromophenyl)-3-fluoroanilino)benzene-1,3-diol
SMILESOc1cc(O)cc(N(c2cccc(F)c2)c2cccc(Br)c2)c1
InChIInChI=1S/C18H13BrFNO2/c19-12-3-1-5-14(7-12)21(15-6-2-4-13(20)8-15)16-9-17(22)11-18(23)10-16/h1-11,22-23H
InChIKeyHLFFWXYOSULTAX-UHFFFAOYSA-N
MW374.21 g/mol
LogP5.47
Rot. Bonds3

About 5-(N-(3-bromophenyl)-3-fluoroanilino)benzene-1,3-diol

5-(N-(3-bromophenyl)-3-fluoroanilino)benzene-1,3-diol (PubChem CID 10948752) has the molecular formula C18H13BrFNO2 and a molecular weight of 374.21 g/mol. Its IUPAC name is 5-(N-(3-bromophenyl)-3-fluoroanilino)benzene-1,3-diol.

Molecular Properties

Compound Name5-(N-(3-bromophenyl)-3-fluoroanilino)benzene-1,3-diol
PubChem CID10948752
Molecular FormulaC18H13BrFNO2
Molecular Weight374.21 g/mol
Exact Mass373.01
IUPAC Name5-(N-(3-bromophenyl)-3-fluoroanilino)benzene-1,3-diol
SMILESOc1cc(O)cc(N(c2cccc(F)c2)c2cccc(Br)c2)c1
InChIInChI=1S/C18H13BrFNO2/c19-12-3-1-5-14(7-12)21(15-6-2-4-13(20)8-15)16-9-17(22)11-18(23)10-16/h1-11,22-23H
InChIKeyHLFFWXYOSULTAX-UHFFFAOYSA-N
XLogP5.47
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.21
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-3-fluorobenzene;sulfane
CID 174932611
3-bromo-N-[4-[4-(3-bromo-N-(3-bromophenyl)anilino)phenyl]phenyl]-N-(3-bromophenyl)aniline
CID 58500380
3-bromo-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155424037
2-N,2-N,3-N,3-N-tetrakis(3-fluorophenyl)naphthalene-2,3-diamine
CID 22900289
N-(4-bromophenyl)-N-[4-[4-(N-(3,5-difluorophenyl)-3-methylanilino)phenyl]phenyl]-3,5-difluoroaniline
CID 70213079
1-(3-bromophenyl)-3-(3-fluoro-N-methylanilino)propan-1-ol
CID 62617468
1,1-bis(3-fluorophenyl)hydrazine
CID 68971186
(3-bromophenyl)-(3-fluorophenyl)methanone
CID 19780750
5-bromo-2-(3-fluoro-N-methylanilino)benzoic acid
CID 114895693
3-fluoro-N,N-dimethylaniline;methane
CID 157466440
N-bromo-N-(3-fluorophenyl)carbamothioyl chloride
CID 135378665
2-amino-4-bromo-N-(3-fluorophenyl)-N-methylbenzamide
CID 79722420

Frequently Asked Questions

What is the IUPAC name of 5-(N-(3-bromophenyl)-3-fluoroanilino)benzene-1,3-diol?
The IUPAC name of 5-(N-(3-bromophenyl)-3-fluoroanilino)benzene-1,3-diol (CID 10948752) is 5-(N-(3-bromophenyl)-3-fluoroanilino)benzene-1,3-diol.
What is the SMILES notation for 5-(N-(3-bromophenyl)-3-fluoroanilino)benzene-1,3-diol?
The canonical SMILES for 5-(N-(3-bromophenyl)-3-fluoroanilino)benzene-1,3-diol is Oc1cc(O)cc(N(c2cccc(F)c2)c2cccc(Br)c2)c1.
What is the InChIKey of 5-(N-(3-bromophenyl)-3-fluoroanilino)benzene-1,3-diol?
The InChIKey is HLFFWXYOSULTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrFNO2/c19-12-3-1-5-14(7-12)21(15-6-2-4-13(20)8-15)16-9-17(22)11-18(23)10-16/h1-11,22-23H.
What are the key properties of 5-(N-(3-bromophenyl)-3-fluoroanilino)benzene-1,3-diol?
5-(N-(3-bromophenyl)-3-fluoroanilino)benzene-1,3-diol has a molecular weight of 374.21 g/mol, XLogP of 5.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-(3-bromophenyl)-3-fluoroanilino)benzene-1,3-diol is sourced from PubChem (CID 10948752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).