(2-chlorophenyl) 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate

C19H12ClF3N2O2 — CID 11292294

IUPAC(2-chlorophenyl) 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate
SMILESO=C(Oc1ccccc1Cl)c1ccccc1Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C19H12ClF3N2O2/c20-14-6-2-4-8-16(14)27-18(26)13-5-1-3-7-15(13)25-12-9-10-24-17(11-12)19(21,22)23/h1-11H,(H,24,25)
InChIKeyOISCLGVVNMPCQX-UHFFFAOYSA-N
MW392.76 g/mol
LogP5.72
Rot. Bonds4

About (2-chlorophenyl) 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate

(2-chlorophenyl) 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate (PubChem CID 11292294) has the molecular formula C19H12ClF3N2O2 and a molecular weight of 392.76 g/mol. Its IUPAC name is (2-chlorophenyl) 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate.

Molecular Properties

Compound Name(2-chlorophenyl) 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate
PubChem CID11292294
Molecular FormulaC19H12ClF3N2O2
Molecular Weight392.76 g/mol
Exact Mass392.05
IUPAC Name(2-chlorophenyl) 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate
SMILESO=C(Oc1ccccc1Cl)c1ccccc1Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C19H12ClF3N2O2/c20-14-6-2-4-8-16(14)27-18(26)13-5-1-3-7-15(13)25-12-9-10-24-17(11-12)19(21,22)23/h1-11H,(H,24,25)
InChIKeyOISCLGVVNMPCQX-UHFFFAOYSA-N
XLogP5.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.76
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate?
The IUPAC name of (2-chlorophenyl) 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate (CID 11292294) is (2-chlorophenyl) 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate.
What is the SMILES notation for (2-chlorophenyl) 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate?
The canonical SMILES for (2-chlorophenyl) 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate is O=C(Oc1ccccc1Cl)c1ccccc1Nc1ccnc(C(F)(F)F)c1.
What is the InChIKey of (2-chlorophenyl) 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate?
The InChIKey is OISCLGVVNMPCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N2O2/c20-14-6-2-4-8-16(14)27-18(26)13-5-1-3-7-15(13)25-12-9-10-24-17(11-12)19(21,22)23/h1-11H,(H,24,25).
What are the key properties of (2-chlorophenyl) 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate?
(2-chlorophenyl) 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate has a molecular weight of 392.76 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate is sourced from PubChem (CID 11292294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).