3-(4-chloroanilino)-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-ol

C21H17Cl3FNO — CID 132591979

IUPAC3-(4-chloroanilino)-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-ol
SMILESOC(CC(Nc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C21H17Cl3FNO/c22-15-4-8-17(9-5-15)26-20(14-3-10-18(23)19(24)11-14)12-21(27)13-1-6-16(25)7-2-13/h1-11,20-21,26-27H,12H2
InChIKeyQJMVFEXTNAWLJC-UHFFFAOYSA-N
MW424.73 g/mol
LogP7.06
Rot. Bonds6

About 3-(4-chloroanilino)-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-ol

3-(4-chloroanilino)-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-ol (PubChem CID 132591979) has the molecular formula C21H17Cl3FNO and a molecular weight of 424.73 g/mol. Its IUPAC name is 3-(4-chloroanilino)-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(4-chloroanilino)-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-ol
PubChem CID132591979
Molecular FormulaC21H17Cl3FNO
Molecular Weight424.73 g/mol
Exact Mass423.04
IUPAC Name3-(4-chloroanilino)-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-ol
SMILESOC(CC(Nc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C21H17Cl3FNO/c22-15-4-8-17(9-5-15)26-20(14-3-10-18(23)19(24)11-14)12-21(27)13-1-6-16(25)7-2-13/h1-11,20-21,26-27H,12H2
InChIKeyQJMVFEXTNAWLJC-UHFFFAOYSA-N
XLogP7.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.73
LogP ≤ 57.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromophenyl)-1-(4-chlorophenyl)-3-(4-fluoroanilino)propan-1-ol
CID 132590804
1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 65376445
3-(4-bromoanilino)-3-(4-bromophenyl)-1-(4-fluorophenyl)propan-1-ol
CID 132591949
(1S,3R)-3-(4-chloroanilino)-1,3-diphenylpropan-1-ol
CID 129396698
1-(4-bromophenyl)-3-(4-fluoroanilino)-3-(4-propan-2-ylphenyl)propan-1-ol
CID 132592767
3-(3-chloroanilino)-1,3-bis(4-chlorophenyl)propan-1-ol
CID 132590818
1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-ol
CID 132591942
3-(4-bromoanilino)-3-(4-chlorophenyl)-1-phenylpropan-1-ol
CID 132593923
1-(3-chloro-4-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 81145659
3-(4-fluoroanilino)-1-naphthalen-2-yl-3-phenylpropan-1-ol
CID 132592638
1-(4-chlorophenyl)-3-(4-ethylanilino)-3-phenylpropan-1-ol
CID 132590791
2-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)ethanol
CID 65026319

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloroanilino)-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-ol?
The IUPAC name of 3-(4-chloroanilino)-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-ol (CID 132591979) is 3-(4-chloroanilino)-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-(4-chloroanilino)-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-(4-chloroanilino)-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-ol is OC(CC(Nc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-chloroanilino)-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-ol?
The InChIKey is QJMVFEXTNAWLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl3FNO/c22-15-4-8-17(9-5-15)26-20(14-3-10-18(23)19(24)11-14)12-21(27)13-1-6-16(25)7-2-13/h1-11,20-21,26-27H,12H2.
What are the key properties of 3-(4-chloroanilino)-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-ol?
3-(4-chloroanilino)-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-ol has a molecular weight of 424.73 g/mol, XLogP of 7.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloroanilino)-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 132591979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).