2,6-difluoro-N-[4-(4-propan-2-yl-3-pyridinyl)phenyl]benzamide

C21H18F2N2O — CID 59517951

IUPAC2,6-difluoro-N-[4-(4-propan-2-yl-3-pyridinyl)phenyl]benzamide
SMILESCC(C)c1ccncc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C21H18F2N2O/c1-13(2)16-10-11-24-12-17(16)14-6-8-15(9-7-14)25-21(26)20-18(22)4-3-5-19(20)23/h3-13H,1-2H3,(H,25,26)
InChIKeyGUCUOGXCJANMHE-UHFFFAOYSA-N
MW352.38 g/mol
LogP5.40
Rot. Bonds4

About 2,6-difluoro-N-[4-(4-propan-2-yl-3-pyridinyl)phenyl]benzamide

2,6-difluoro-N-[4-(4-propan-2-yl-3-pyridinyl)phenyl]benzamide (PubChem CID 59517951) has the molecular formula C21H18F2N2O and a molecular weight of 352.38 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-(4-propan-2-yl-3-pyridinyl)phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-(4-propan-2-yl-3-pyridinyl)phenyl]benzamide
PubChem CID59517951
Molecular FormulaC21H18F2N2O
Molecular Weight352.38 g/mol
Exact Mass352.14
IUPAC Name2,6-difluoro-N-[4-(4-propan-2-yl-3-pyridinyl)phenyl]benzamide
SMILESCC(C)c1ccncc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C21H18F2N2O/c1-13(2)16-10-11-24-12-17(16)14-6-8-15(9-7-14)25-21(26)20-18(22)4-3-5-19(20)23/h3-13H,1-2H3,(H,25,26)
InChIKeyGUCUOGXCJANMHE-UHFFFAOYSA-N
XLogP5.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.38
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-(4-propan-2-yl-3-pyridinyl)phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-(4-propan-2-yl-3-pyridinyl)phenyl]benzamide (CID 59517951) is 2,6-difluoro-N-[4-(4-propan-2-yl-3-pyridinyl)phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-(4-propan-2-yl-3-pyridinyl)phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-(4-propan-2-yl-3-pyridinyl)phenyl]benzamide is CC(C)c1ccncc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 2,6-difluoro-N-[4-(4-propan-2-yl-3-pyridinyl)phenyl]benzamide?
The InChIKey is GUCUOGXCJANMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O/c1-13(2)16-10-11-24-12-17(16)14-6-8-15(9-7-14)25-21(26)20-18(22)4-3-5-19(20)23/h3-13H,1-2H3,(H,25,26).
What are the key properties of 2,6-difluoro-N-[4-(4-propan-2-yl-3-pyridinyl)phenyl]benzamide?
2,6-difluoro-N-[4-(4-propan-2-yl-3-pyridinyl)phenyl]benzamide has a molecular weight of 352.38 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-(4-propan-2-yl-3-pyridinyl)phenyl]benzamide is sourced from PubChem (CID 59517951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).