3-(3-chloroanilino)-1,3-bis(4-chlorophenyl)propan-1-ol

C21H18Cl3NO — CID 132590818

IUPAC3-(3-chloroanilino)-1,3-bis(4-chlorophenyl)propan-1-ol
SMILESOC(CC(Nc1cccc(Cl)c1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H18Cl3NO/c22-16-8-4-14(5-9-16)20(25-19-3-1-2-18(24)12-19)13-21(26)15-6-10-17(23)11-7-15/h1-12,20-21,25-26H,13H2
InChIKeyGJJUSBBLPODDNT-UHFFFAOYSA-N
MW406.74 g/mol
LogP6.92
Rot. Bonds6

About 3-(3-chloroanilino)-1,3-bis(4-chlorophenyl)propan-1-ol

3-(3-chloroanilino)-1,3-bis(4-chlorophenyl)propan-1-ol (PubChem CID 132590818) has the molecular formula C21H18Cl3NO and a molecular weight of 406.74 g/mol. Its IUPAC name is 3-(3-chloroanilino)-1,3-bis(4-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-chloroanilino)-1,3-bis(4-chlorophenyl)propan-1-ol
PubChem CID132590818
Molecular FormulaC21H18Cl3NO
Molecular Weight406.74 g/mol
Exact Mass405.05
IUPAC Name3-(3-chloroanilino)-1,3-bis(4-chlorophenyl)propan-1-ol
SMILESOC(CC(Nc1cccc(Cl)c1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H18Cl3NO/c22-16-8-4-14(5-9-16)20(25-19-3-1-2-18(24)12-19)13-21(26)15-6-10-17(23)11-7-15/h1-12,20-21,25-26H,13H2
InChIKeyGJJUSBBLPODDNT-UHFFFAOYSA-N
XLogP6.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.74
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,3R)-3-(4-chloroanilino)-1,3-diphenylpropan-1-ol
CID 129396698
3-(4-bromoanilino)-3-(4-chlorophenyl)-1-phenylpropan-1-ol
CID 132593923
1-(4-chlorophenyl)-3-(4-ethylanilino)-3-phenylpropan-1-ol
CID 132590791
2-(3-chloroanilino)-2-(3-chlorophenyl)ethanol
CID 61049948
3-(4-bromophenyl)-1-(4-chlorophenyl)-3-(4-fluoroanilino)propan-1-ol
CID 132590804
1-(4-chlorophenyl)-3-(4-nitroanilino)-3-phenylpropan-1-ol
CID 24865344
3-(3-chloroanilino)-3-(4-chlorophenyl)-1-(4-fluorophenyl)propan-1-one
CID 132593574
3-(4-chloroanilino)-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-ol
CID 132591979
4-[[1-(4-chlorophenyl)-3-hydroxy-3-(4-hydroxyphenyl)propyl]amino]benzoic acid
CID 141204468
2-(3-chloroanilino)-2-(4-methylsulfanylphenyl)ethanol
CID 61047746
N,1-bis(3-chlorophenyl)ethane-1,2-diamine
CID 65383380
2-(3-chloroanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60897560

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloroanilino)-1,3-bis(4-chlorophenyl)propan-1-ol?
The IUPAC name of 3-(3-chloroanilino)-1,3-bis(4-chlorophenyl)propan-1-ol (CID 132590818) is 3-(3-chloroanilino)-1,3-bis(4-chlorophenyl)propan-1-ol.
What is the SMILES notation for 3-(3-chloroanilino)-1,3-bis(4-chlorophenyl)propan-1-ol?
The canonical SMILES for 3-(3-chloroanilino)-1,3-bis(4-chlorophenyl)propan-1-ol is OC(CC(Nc1cccc(Cl)c1)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(3-chloroanilino)-1,3-bis(4-chlorophenyl)propan-1-ol?
The InChIKey is GJJUSBBLPODDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl3NO/c22-16-8-4-14(5-9-16)20(25-19-3-1-2-18(24)12-19)13-21(26)15-6-10-17(23)11-7-15/h1-12,20-21,25-26H,13H2.
What are the key properties of 3-(3-chloroanilino)-1,3-bis(4-chlorophenyl)propan-1-ol?
3-(3-chloroanilino)-1,3-bis(4-chlorophenyl)propan-1-ol has a molecular weight of 406.74 g/mol, XLogP of 6.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloroanilino)-1,3-bis(4-chlorophenyl)propan-1-ol is sourced from PubChem (CID 132590818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).