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

C19H12ClF3N2O2 — CID 58337701

IUPAC3-chloro-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(Oc2cccnc2)cc(C(F)(F)F)c1)c1cccc(Cl)c1
InChIInChI=1S/C19H12ClF3N2O2/c20-14-4-1-3-12(7-14)18(26)25-15-8-13(19(21,22)23)9-17(10-15)27-16-5-2-6-24-11-16/h1-11H,(H,25,26)
InChIKeyQHUMPYTXXUFOLC-UHFFFAOYSA-N
MW392.76 g/mol
LogP5.80
Rot. Bonds4

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

3-chloro-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 58337701) has the molecular formula C19H12ClF3N2O2 and a molecular weight of 392.76 g/mol. Its IUPAC name is 3-chloro-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide
PubChem CID58337701
Molecular FormulaC19H12ClF3N2O2
Molecular Weight392.76 g/mol
Exact Mass392.05
IUPAC Name3-chloro-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(Oc2cccnc2)cc(C(F)(F)F)c1)c1cccc(Cl)c1
InChIInChI=1S/C19H12ClF3N2O2/c20-14-4-1-3-12(7-14)18(26)25-15-8-13(19(21,22)23)9-17(10-15)27-16-5-2-6-24-11-16/h1-11H,(H,25,26)
InChIKeyQHUMPYTXXUFOLC-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

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Related Compounds

3-cyano-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide
CID 58337556
3-chloro-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337765
3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337430
3-(4-methylphenyl)-1-phenyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 156904389
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
3-cyano-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337716
N-pyridin-3-yl-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide
CID 59607236
N-[3,5-bis(trifluoromethyl)phenyl]-3-ethoxybenzamide
CID 1371534
N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]-1H-indazol-3-yl]pyridine-3-carboxamide
CID 143770344
N-[3-[(3-chlorobenzoyl)amino]-5-pyrimidin-5-yloxyphenyl]-3-[(3-chloro-5-pyrimidin-5-yloxyphenyl)carbamoyl]benzonitrilium
CID 123530690
4-fluoro-N-(3-pyridin-2-yl-5-pyridin-3-yloxyphenyl)benzamide
CID 10172758
3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-methyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide
CID 159213971

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide (CID 58337701) is 3-chloro-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cc(Oc2cccnc2)cc(C(F)(F)F)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is QHUMPYTXXUFOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N2O2/c20-14-4-1-3-12(7-14)18(26)25-15-8-13(19(21,22)23)9-17(10-15)27-16-5-2-6-24-11-16/h1-11H,(H,25,26).
What are the key properties of 3-chloro-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide?
3-chloro-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)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-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 58337701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).