3-(3,4-difluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]propanamide

C22H20F2N2O — CID 47027724

IUPAC3-(3,4-difluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]propanamide
SMILESCc1ccc(Cn2cccc/c2=N\C(=O)CCc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C22H20F2N2O/c1-16-5-7-18(8-6-16)15-26-13-3-2-4-21(26)25-22(27)12-10-17-9-11-19(23)20(24)14-17/h2-9,11,13-14H,10,12,15H2,1H3/b25-21+
InChIKeySKLDOQAJIFGOHK-NJNXFGOHSA-N
MW366.41 g/mol
LogP4.18
Rot. Bonds5

About 3-(3,4-difluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]propanamide

3-(3,4-difluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]propanamide (PubChem CID 47027724) has the molecular formula C22H20F2N2O and a molecular weight of 366.41 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]propanamide
PubChem CID47027724
Molecular FormulaC22H20F2N2O
Molecular Weight366.41 g/mol
Exact Mass366.15
IUPAC Name3-(3,4-difluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]propanamide
SMILESCc1ccc(Cn2cccc/c2=N\C(=O)CCc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C22H20F2N2O/c1-16-5-7-18(8-6-16)15-26-13-3-2-4-21(26)25-22(27)12-10-17-9-11-19(23)20(24)14-17/h2-9,11,13-14H,10,12,15H2,1H3/b25-21+
InChIKeySKLDOQAJIFGOHK-NJNXFGOHSA-N
XLogP4.18
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]propanamide (CID 47027724) is 3-(3,4-difluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]propanamide is Cc1ccc(Cn2cccc/c2=N\C(=O)CCc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]propanamide?
The InChIKey is SKLDOQAJIFGOHK-NJNXFGOHSA-N. The full InChI is InChI=1S/C22H20F2N2O/c1-16-5-7-18(8-6-16)15-26-13-3-2-4-21(26)25-22(27)12-10-17-9-11-19(23)20(24)14-17/h2-9,11,13-14H,10,12,15H2,1H3/b25-21+.
What are the key properties of 3-(3,4-difluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]propanamide?
3-(3,4-difluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]propanamide has a molecular weight of 366.41 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]propanamide is sourced from PubChem (CID 47027724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).