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

C19H12ClF3N2O — CID 11428847

IUPAC4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2ncccc2Cl)cc1
InChIInChI=1S/C19H12ClF3N2O/c20-16-2-1-11-24-17(16)12-3-5-13(6-4-12)18(26)25-15-9-7-14(8-10-15)19(21,22)23/h1-11H,(H,25,26)
InChIKeyYOMNEKGAHNVLSW-UHFFFAOYSA-N
MW376.77 g/mol
LogP5.67
Rot. Bonds3

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

4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 11428847) has the molecular formula C19H12ClF3N2O and a molecular weight of 376.77 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID11428847
Molecular FormulaC19H12ClF3N2O
Molecular Weight376.77 g/mol
Exact Mass376.06
IUPAC Name4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2ncccc2Cl)cc1
InChIInChI=1S/C19H12ClF3N2O/c20-16-2-1-11-24-17(16)12-3-5-13(6-4-12)18(26)25-15-9-7-14(8-10-15)19(21,22)23/h1-11H,(H,25,26)
InChIKeyYOMNEKGAHNVLSW-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 4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]benzamide (CID 11428847) is 4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2ncccc2Cl)cc1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is YOMNEKGAHNVLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N2O/c20-16-2-1-11-24-17(16)12-3-5-13(6-4-12)18(26)25-15-9-7-14(8-10-15)19(21,22)23/h1-11H,(H,25,26).
What are the key properties of 4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]benzamide?
4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]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 4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 11428847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).