4-chloro-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide

C19H13ClF3N3O — CID 56679470

IUPAC4-chloro-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NC(c1ccc(C(F)(F)F)cc1)c1cnccn1)c1ccc(Cl)cc1
InChIInChI=1S/C19H13ClF3N3O/c20-15-7-3-13(4-8-15)18(27)26-17(16-11-24-9-10-25-16)12-1-5-14(6-2-12)19(21,22)23/h1-11,17H,(H,26,27)
InChIKeyXVPDBCXWMNGLBB-UHFFFAOYSA-N
MW391.78 g/mol
LogP4.67
Rot. Bonds4

About 4-chloro-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide

4-chloro-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 56679470) has the molecular formula C19H13ClF3N3O and a molecular weight of 391.78 g/mol. Its IUPAC name is 4-chloro-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID56679470
Molecular FormulaC19H13ClF3N3O
Molecular Weight391.78 g/mol
Exact Mass391.07
IUPAC Name4-chloro-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NC(c1ccc(C(F)(F)F)cc1)c1cnccn1)c1ccc(Cl)cc1
InChIInChI=1S/C19H13ClF3N3O/c20-15-7-3-13(4-8-15)18(27)26-17(16-11-24-9-10-25-16)12-1-5-14(6-2-12)19(21,22)23/h1-11,17H,(H,26,27)
InChIKeyXVPDBCXWMNGLBB-UHFFFAOYSA-N
XLogP4.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.78
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 56679470) is 4-chloro-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide is O=C(NC(c1ccc(C(F)(F)F)cc1)c1cnccn1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is XVPDBCXWMNGLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N3O/c20-15-7-3-13(4-8-15)18(27)26-17(16-11-24-9-10-25-16)12-1-5-14(6-2-12)19(21,22)23/h1-11,17H,(H,26,27).
What are the key properties of 4-chloro-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide?
4-chloro-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 391.78 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 56679470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).