[4-[bis[(4-fluorophenyl)methyl]amino]-2-chlorophenyl]methanol

C21H18ClF2NO — CID 155814402

IUPAC[4-[bis[(4-fluorophenyl)methyl]amino]-2-chlorophenyl]methanol
SMILESOCc1ccc(N(Cc2ccc(F)cc2)Cc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C21H18ClF2NO/c22-21-11-20(10-5-17(21)14-26)25(12-15-1-6-18(23)7-2-15)13-16-3-8-19(24)9-4-16/h1-11,26H,12-14H2
InChIKeyGDFKTGXODPXDMS-UHFFFAOYSA-N
MW373.83 g/mol
LogP5.32
Rot. Bonds6

About [4-[bis[(4-fluorophenyl)methyl]amino]-2-chlorophenyl]methanol

[4-[bis[(4-fluorophenyl)methyl]amino]-2-chlorophenyl]methanol (PubChem CID 155814402) has the molecular formula C21H18ClF2NO and a molecular weight of 373.83 g/mol. Its IUPAC name is [4-[bis[(4-fluorophenyl)methyl]amino]-2-chlorophenyl]methanol.

Molecular Properties

Compound Name[4-[bis[(4-fluorophenyl)methyl]amino]-2-chlorophenyl]methanol
PubChem CID155814402
Molecular FormulaC21H18ClF2NO
Molecular Weight373.83 g/mol
Exact Mass373.10
IUPAC Name[4-[bis[(4-fluorophenyl)methyl]amino]-2-chlorophenyl]methanol
SMILESOCc1ccc(N(Cc2ccc(F)cc2)Cc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C21H18ClF2NO/c22-21-11-20(10-5-17(21)14-26)25(12-15-1-6-18(23)7-2-15)13-16-3-8-19(24)9-4-16/h1-11,26H,12-14H2
InChIKeyGDFKTGXODPXDMS-UHFFFAOYSA-N
XLogP5.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.83
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[bis[(4-fluorophenyl)methyl]amino]-2-chlorophenyl]methanol?
The IUPAC name of [4-[bis[(4-fluorophenyl)methyl]amino]-2-chlorophenyl]methanol (CID 155814402) is [4-[bis[(4-fluorophenyl)methyl]amino]-2-chlorophenyl]methanol.
What is the SMILES notation for [4-[bis[(4-fluorophenyl)methyl]amino]-2-chlorophenyl]methanol?
The canonical SMILES for [4-[bis[(4-fluorophenyl)methyl]amino]-2-chlorophenyl]methanol is OCc1ccc(N(Cc2ccc(F)cc2)Cc2ccc(F)cc2)cc1Cl.
What is the InChIKey of [4-[bis[(4-fluorophenyl)methyl]amino]-2-chlorophenyl]methanol?
The InChIKey is GDFKTGXODPXDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF2NO/c22-21-11-20(10-5-17(21)14-26)25(12-15-1-6-18(23)7-2-15)13-16-3-8-19(24)9-4-16/h1-11,26H,12-14H2.
What are the key properties of [4-[bis[(4-fluorophenyl)methyl]amino]-2-chlorophenyl]methanol?
[4-[bis[(4-fluorophenyl)methyl]amino]-2-chlorophenyl]methanol has a molecular weight of 373.83 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[bis[(4-fluorophenyl)methyl]amino]-2-chlorophenyl]methanol is sourced from PubChem (CID 155814402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).