[2-(4-chlorophenyl)anilino]-[4-(trifluoromethoxy)anilino]methanol

C20H16ClF3N2O2 — CID 162553114

IUPAC[2-(4-chlorophenyl)anilino]-[4-(trifluoromethoxy)anilino]methanol
SMILESOC(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1-c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClF3N2O2/c21-14-7-5-13(6-8-14)17-3-1-2-4-18(17)26-19(27)25-15-9-11-16(12-10-15)28-20(22,23)24/h1-12,19,25-27H
InChIKeySOHJWUJUMRSENT-UHFFFAOYSA-N
MW408.81 g/mol
LogP5.71
Rot. Bonds6

About [2-(4-chlorophenyl)anilino]-[4-(trifluoromethoxy)anilino]methanol

[2-(4-chlorophenyl)anilino]-[4-(trifluoromethoxy)anilino]methanol (PubChem CID 162553114) has the molecular formula C20H16ClF3N2O2 and a molecular weight of 408.81 g/mol. Its IUPAC name is [2-(4-chlorophenyl)anilino]-[4-(trifluoromethoxy)anilino]methanol.

Molecular Properties

Compound Name[2-(4-chlorophenyl)anilino]-[4-(trifluoromethoxy)anilino]methanol
PubChem CID162553114
Molecular FormulaC20H16ClF3N2O2
Molecular Weight408.81 g/mol
Exact Mass408.09
IUPAC Name[2-(4-chlorophenyl)anilino]-[4-(trifluoromethoxy)anilino]methanol
SMILESOC(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1-c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClF3N2O2/c21-14-7-5-13(6-8-14)17-3-1-2-4-18(17)26-19(27)25-15-9-11-16(12-10-15)28-20(22,23)24/h1-12,19,25-27H
InChIKeySOHJWUJUMRSENT-UHFFFAOYSA-N
XLogP5.71
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.81
LogP ≤ 55.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)anilino]-[4-(trifluoromethoxy)anilino]methanol?
The IUPAC name of [2-(4-chlorophenyl)anilino]-[4-(trifluoromethoxy)anilino]methanol (CID 162553114) is [2-(4-chlorophenyl)anilino]-[4-(trifluoromethoxy)anilino]methanol.
What is the SMILES notation for [2-(4-chlorophenyl)anilino]-[4-(trifluoromethoxy)anilino]methanol?
The canonical SMILES for [2-(4-chlorophenyl)anilino]-[4-(trifluoromethoxy)anilino]methanol is OC(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1-c1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)anilino]-[4-(trifluoromethoxy)anilino]methanol?
The InChIKey is SOHJWUJUMRSENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N2O2/c21-14-7-5-13(6-8-14)17-3-1-2-4-18(17)26-19(27)25-15-9-11-16(12-10-15)28-20(22,23)24/h1-12,19,25-27H.
What are the key properties of [2-(4-chlorophenyl)anilino]-[4-(trifluoromethoxy)anilino]methanol?
[2-(4-chlorophenyl)anilino]-[4-(trifluoromethoxy)anilino]methanol has a molecular weight of 408.81 g/mol, XLogP of 5.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)anilino]-[4-(trifluoromethoxy)anilino]methanol is sourced from PubChem (CID 162553114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).