cyclopropyl-[5-fluoro-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridin-4-yl]methanone

C16H16F2N2O — CID 176938892

IUPACcyclopropyl-[5-fluoro-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridin-4-yl]methanone
SMILESCc1ccc(NC2=C(C(=O)C3CC3)C(F)=CNC2)c(F)c1
InChIInChI=1S/C16H16F2N2O/c1-9-2-5-13(11(17)6-9)20-14-8-19-7-12(18)15(14)16(21)10-3-4-10/h2,5-7,10,19-20H,3-4,8H2,1H3
InChIKeyDFRJUZPQGRIRCH-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.19
Rot. Bonds4

About cyclopropyl-[5-fluoro-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridin-4-yl]methanone

cyclopropyl-[5-fluoro-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridin-4-yl]methanone (PubChem CID 176938892) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is cyclopropyl-[5-fluoro-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridin-4-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[5-fluoro-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridin-4-yl]methanone
PubChem CID176938892
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Namecyclopropyl-[5-fluoro-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridin-4-yl]methanone
SMILESCc1ccc(NC2=C(C(=O)C3CC3)C(F)=CNC2)c(F)c1
InChIInChI=1S/C16H16F2N2O/c1-9-2-5-13(11(17)6-9)20-14-8-19-7-12(18)15(14)16(21)10-3-4-10/h2,5-7,10,19-20H,3-4,8H2,1H3
InChIKeyDFRJUZPQGRIRCH-UHFFFAOYSA-N
XLogP3.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide;ethane
CID 176938915
5-[difluoro(phosphanyl)methyl]-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide
CID 176938948
ethane;3-(2-fluoro-4-methylanilino)-5-prop-1-ynyl-1,2-dihydropyridine-4-carboxamide
CID 176938954
N-cyclopropyl-2-(2-fluoro-4-methylanilino)propanamide
CID 43088822
cycloheptyl-(2-fluoro-4-methylphenyl)methanone
CID 115794872
N-(2-fluoro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119263786
N-(2-fluoro-4-methylphenyl)propanamide
CID 60628124
8-azabicyclo[3.2.1]octan-3-yl-(2-fluoro-4-methylphenyl)methanone
CID 171944944
N-[1-(2-fluoro-4-methylanilino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110013792
2-cyclopropyl-4-fluoro-6-(2-fluoro-4-methylanilino)benzamide
CID 176938951
3-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,3-diamine
CID 112647070
1-cycloheptyl-3-(2-fluoro-4-methylphenyl)urea
CID 47132817

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[5-fluoro-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridin-4-yl]methanone?
The IUPAC name of cyclopropyl-[5-fluoro-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridin-4-yl]methanone (CID 176938892) is cyclopropyl-[5-fluoro-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridin-4-yl]methanone.
What is the SMILES notation for cyclopropyl-[5-fluoro-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridin-4-yl]methanone?
The canonical SMILES for cyclopropyl-[5-fluoro-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridin-4-yl]methanone is Cc1ccc(NC2=C(C(=O)C3CC3)C(F)=CNC2)c(F)c1.
What is the InChIKey of cyclopropyl-[5-fluoro-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridin-4-yl]methanone?
The InChIKey is DFRJUZPQGRIRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-9-2-5-13(11(17)6-9)20-14-8-19-7-12(18)15(14)16(21)10-3-4-10/h2,5-7,10,19-20H,3-4,8H2,1H3.
What are the key properties of cyclopropyl-[5-fluoro-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridin-4-yl]methanone?
cyclopropyl-[5-fluoro-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridin-4-yl]methanone has a molecular weight of 290.31 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[5-fluoro-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridin-4-yl]methanone is sourced from PubChem (CID 176938892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).