3-chloro-N-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

C19H12ClF3N2O — CID 59673389

IUPAC3-chloro-N-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccccc1)c1ccc(-c2ncccc2C(F)(F)F)c(Cl)c1
InChIInChI=1S/C19H12ClF3N2O/c20-16-11-12(18(26)25-13-5-2-1-3-6-13)8-9-14(16)17-15(19(21,22)23)7-4-10-24-17/h1-11H,(H,25,26)
InChIKeyMZJVGYUBZRXGRM-UHFFFAOYSA-N
MW376.77 g/mol
LogP5.67
Rot. Bonds3

About 3-chloro-N-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

3-chloro-N-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 59673389) has the molecular formula C19H12ClF3N2O and a molecular weight of 376.77 g/mol. Its IUPAC name is 3-chloro-N-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID59673389
Molecular FormulaC19H12ClF3N2O
Molecular Weight376.77 g/mol
Exact Mass376.06
IUPAC Name3-chloro-N-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccccc1)c1ccc(-c2ncccc2C(F)(F)F)c(Cl)c1
InChIInChI=1S/C19H12ClF3N2O/c20-16-11-12(18(26)25-13-5-2-1-3-6-13)8-9-14(16)17-15(19(21,22)23)7-4-10-24-17/h1-11H,(H,25,26)
InChIKeyMZJVGYUBZRXGRM-UHFFFAOYSA-N
XLogP5.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.77
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of 3-chloro-N-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (CID 59673389) is 3-chloro-N-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 3-chloro-N-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 3-chloro-N-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is O=C(Nc1ccccc1)c1ccc(-c2ncccc2C(F)(F)F)c(Cl)c1.
What is the InChIKey of 3-chloro-N-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is MZJVGYUBZRXGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N2O/c20-16-11-12(18(26)25-13-5-2-1-3-6-13)8-9-14(16)17-15(19(21,22)23)7-4-10-24-17/h1-11H,(H,25,26).
What are the key properties of 3-chloro-N-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
3-chloro-N-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 376.77 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 59673389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).