3-(4-bromoanilino)-3-(4-bromophenyl)-1-(4-fluorophenyl)propan-1-ol

C21H18Br2FNO — CID 132591949

IUPAC3-(4-bromoanilino)-3-(4-bromophenyl)-1-(4-fluorophenyl)propan-1-ol
SMILESOC(CC(Nc1ccc(Br)cc1)c1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H18Br2FNO/c22-16-5-1-14(2-6-16)20(25-19-11-7-17(23)8-12-19)13-21(26)15-3-9-18(24)10-4-15/h1-12,20-21,25-26H,13H2
InChIKeyAFXQOMUWOAFCEL-UHFFFAOYSA-N
MW479.19 g/mol
LogP6.63
Rot. Bonds6

About 3-(4-bromoanilino)-3-(4-bromophenyl)-1-(4-fluorophenyl)propan-1-ol

3-(4-bromoanilino)-3-(4-bromophenyl)-1-(4-fluorophenyl)propan-1-ol (PubChem CID 132591949) has the molecular formula C21H18Br2FNO and a molecular weight of 479.19 g/mol. Its IUPAC name is 3-(4-bromoanilino)-3-(4-bromophenyl)-1-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(4-bromoanilino)-3-(4-bromophenyl)-1-(4-fluorophenyl)propan-1-ol
PubChem CID132591949
Molecular FormulaC21H18Br2FNO
Molecular Weight479.19 g/mol
Exact Mass476.97
IUPAC Name3-(4-bromoanilino)-3-(4-bromophenyl)-1-(4-fluorophenyl)propan-1-ol
SMILESOC(CC(Nc1ccc(Br)cc1)c1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H18Br2FNO/c22-16-5-1-14(2-6-16)20(25-19-11-7-17(23)8-12-19)13-21(26)15-3-9-18(24)10-4-15/h1-12,20-21,25-26H,13H2
InChIKeyAFXQOMUWOAFCEL-UHFFFAOYSA-N
XLogP6.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.19
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-(4-fluoroanilino)-3-(4-propan-2-ylphenyl)propan-1-ol
CID 132592767
3-(4-bromophenyl)-1-(4-chlorophenyl)-3-(4-fluoroanilino)propan-1-ol
CID 132590804
3-(4-bromoanilino)-3-(4-bromophenyl)-1-phenylpropan-1-ol
CID 132593927
3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-propan-2-ylphenyl)propan-1-ol
CID 132592769
3-(4-bromoanilino)-3-(4-chlorophenyl)-1-phenylpropan-1-ol
CID 132593923
1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-ol
CID 132591942
N-[1-(4-bromophenyl)propyl]-4-fluoroaniline
CID 43097882
3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-ethoxyphenyl)propan-1-ol
CID 132592759
3-(4-chloroanilino)-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-ol
CID 132591979
3-(4-fluoroanilino)-1-naphthalen-2-yl-3-phenylpropan-1-ol
CID 132592638
3-(4-bromophenyl)-1-(4-chlorophenyl)-3-(4-nitroanilino)propan-1-ol
CID 132590823
(3R)-3-(4-bromoanilino)-3-(4-fluorophenyl)-1-phenylpropan-1-one
CID 2222867

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromoanilino)-3-(4-bromophenyl)-1-(4-fluorophenyl)propan-1-ol?
The IUPAC name of 3-(4-bromoanilino)-3-(4-bromophenyl)-1-(4-fluorophenyl)propan-1-ol (CID 132591949) is 3-(4-bromoanilino)-3-(4-bromophenyl)-1-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-(4-bromoanilino)-3-(4-bromophenyl)-1-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-(4-bromoanilino)-3-(4-bromophenyl)-1-(4-fluorophenyl)propan-1-ol is OC(CC(Nc1ccc(Br)cc1)c1ccc(Br)cc1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-bromoanilino)-3-(4-bromophenyl)-1-(4-fluorophenyl)propan-1-ol?
The InChIKey is AFXQOMUWOAFCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Br2FNO/c22-16-5-1-14(2-6-16)20(25-19-11-7-17(23)8-12-19)13-21(26)15-3-9-18(24)10-4-15/h1-12,20-21,25-26H,13H2.
What are the key properties of 3-(4-bromoanilino)-3-(4-bromophenyl)-1-(4-fluorophenyl)propan-1-ol?
3-(4-bromoanilino)-3-(4-bromophenyl)-1-(4-fluorophenyl)propan-1-ol has a molecular weight of 479.19 g/mol, XLogP of 6.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromoanilino)-3-(4-bromophenyl)-1-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 132591949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).