3-cyano-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide

C20H12F3N3O2 — CID 58337556

IUPAC3-cyano-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2cc(Oc3cccnc3)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H12F3N3O2/c21-20(22,23)15-8-16(10-18(9-15)28-17-5-2-6-25-12-17)26-19(27)14-4-1-3-13(7-14)11-24/h1-10,12H,(H,26,27)
InChIKeyZPCRKGDPLMRBRD-UHFFFAOYSA-N
MW383.33 g/mol
LogP5.02
Rot. Bonds4

About 3-cyano-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide

3-cyano-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 58337556) has the molecular formula C20H12F3N3O2 and a molecular weight of 383.33 g/mol. Its IUPAC name is 3-cyano-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide
PubChem CID58337556
Molecular FormulaC20H12F3N3O2
Molecular Weight383.33 g/mol
Exact Mass383.09
IUPAC Name3-cyano-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2cc(Oc3cccnc3)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H12F3N3O2/c21-20(22,23)15-8-16(10-18(9-15)28-17-5-2-6-25-12-17)26-19(27)14-4-1-3-13(7-14)11-24/h1-10,12H,(H,26,27)
InChIKeyZPCRKGDPLMRBRD-UHFFFAOYSA-N
XLogP5.02
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.33
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyano-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)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

Related Compounds

3-cyano-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337716
3-chloro-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide
CID 58337701
3-cyano-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide
CID 58349175
3-cyano-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide
CID 58349136
3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337430
N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-cyanobenzamide
CID 58337642
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(3-cyanophenoxy)phenyl]urea
CID 91668273
3-cyano-N-(3-methoxyphenyl)benzamide
CID 2709744
3-chloro-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337765
5-[(3-cyanobenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 10448085
N-pyridin-3-yl-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide
CID 59607236
N-[3,5-bis(trifluoromethyl)phenyl]-3-ethoxybenzamide
CID 1371534

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-cyano-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide (CID 58337556) is 3-cyano-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-cyano-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-cyano-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide is N#Cc1cccc(C(=O)Nc2cc(Oc3cccnc3)cc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-cyano-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is ZPCRKGDPLMRBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O2/c21-20(22,23)15-8-16(10-18(9-15)28-17-5-2-6-25-12-17)26-19(27)14-4-1-3-13(7-14)11-24/h1-10,12H,(H,26,27).
What are the key properties of 3-cyano-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide?
3-cyano-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 383.33 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 58337556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).