3-chloro-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide

C19H12ClF3N2O2 — CID 58337768

IUPAC3-chloro-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
SMILESO=C(Nc1cccc(Oc2cncc(C(F)(F)F)c2)c1)c1cccc(Cl)c1
InChIInChI=1S/C19H12ClF3N2O2/c20-14-4-1-3-12(7-14)18(26)25-15-5-2-6-16(9-15)27-17-8-13(10-24-11-17)19(21,22)23/h1-11H,(H,25,26)
InChIKeyDPCAITUSBFYXSH-UHFFFAOYSA-N
MW392.76 g/mol
LogP5.80
Rot. Bonds4

About 3-chloro-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide

3-chloro-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide (PubChem CID 58337768) has the molecular formula C19H12ClF3N2O2 and a molecular weight of 392.76 g/mol. Its IUPAC name is 3-chloro-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
PubChem CID58337768
Molecular FormulaC19H12ClF3N2O2
Molecular Weight392.76 g/mol
Exact Mass392.05
IUPAC Name3-chloro-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
SMILESO=C(Nc1cccc(Oc2cncc(C(F)(F)F)c2)c1)c1cccc(Cl)c1
InChIInChI=1S/C19H12ClF3N2O2/c20-14-4-1-3-12(7-14)18(26)25-15-5-2-6-16(9-15)27-17-8-13(10-24-11-17)19(21,22)23/h1-11H,(H,25,26)
InChIKeyDPCAITUSBFYXSH-UHFFFAOYSA-N
XLogP5.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.76
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide (CID 58337768) is 3-chloro-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide is O=C(Nc1cccc(Oc2cncc(C(F)(F)F)c2)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide?
The InChIKey is DPCAITUSBFYXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N2O2/c20-14-4-1-3-12(7-14)18(26)25-15-5-2-6-16(9-15)27-17-8-13(10-24-11-17)19(21,22)23/h1-11H,(H,25,26).
What are the key properties of 3-chloro-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide?
3-chloro-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide has a molecular weight of 392.76 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide is sourced from PubChem (CID 58337768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).