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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Related Compounds

3-methyl-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 56669294
N-[(4-chlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]prop-2-enamide
CID 154874614
6-oxo-N-[(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 71144853
cyclopropyl-[4-[[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone;hydrochloride
CID 56672798
N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-4-carboxamide
CID 89310572
3-chloro-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-fluorobenzamide
CID 145056345
N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]benzamide
CID 130288420
4-chloro-N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 71144078
6-[[[4-methyl-3-(trifluoromethyl)-2-pyridinyl]-[4-(trifluoromethyl)phenyl]methyl]carbamoyl]pyridine-3-carboxylic acid
CID 123726720
4-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
CID 123503906
N-[(S)-(4-chlorophenyl)-(5-chloro-2-pyridinyl)methyl]-4-cyano-3,5-difluorobenzamide
CID 130288434
2-chloro-1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 88827170

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).