2,6-difluoro-N-[6-(8-methylspiro[chromene-2,1'-cyclobutane]-4-yl)-3-pyridinyl]benzamide

C25H20F2N2O2 — CID 87056739

IUPAC2,6-difluoro-N-[6-(8-methylspiro[chromene-2,1'-cyclobutane]-4-yl)-3-pyridinyl]benzamide
SMILESCc1cccc2c1OC1(C=C2c2ccc(NC(=O)c3c(F)cccc3F)cn2)CCC1
InChIInChI=1S/C25H20F2N2O2/c1-15-5-2-6-17-18(13-25(11-4-12-25)31-23(15)17)21-10-9-16(14-28-21)29-24(30)22-19(26)7-3-8-20(22)27/h2-3,5-10,13-14H,4,11-12H2,1H3,(H,29,30)
InChIKeyITOFUYILUVTDIM-UHFFFAOYSA-N
MW418.44 g/mol
LogP5.67
Rot. Bonds3

About 2,6-difluoro-N-[6-(8-methylspiro[chromene-2,1'-cyclobutane]-4-yl)-3-pyridinyl]benzamide

2,6-difluoro-N-[6-(8-methylspiro[chromene-2,1'-cyclobutane]-4-yl)-3-pyridinyl]benzamide (PubChem CID 87056739) has the molecular formula C25H20F2N2O2 and a molecular weight of 418.44 g/mol. Its IUPAC name is 2,6-difluoro-N-[6-(8-methylspiro[chromene-2,1'-cyclobutane]-4-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[6-(8-methylspiro[chromene-2,1'-cyclobutane]-4-yl)-3-pyridinyl]benzamide
PubChem CID87056739
Molecular FormulaC25H20F2N2O2
Molecular Weight418.44 g/mol
Exact Mass418.15
IUPAC Name2,6-difluoro-N-[6-(8-methylspiro[chromene-2,1'-cyclobutane]-4-yl)-3-pyridinyl]benzamide
SMILESCc1cccc2c1OC1(C=C2c2ccc(NC(=O)c3c(F)cccc3F)cn2)CCC1
InChIInChI=1S/C25H20F2N2O2/c1-15-5-2-6-17-18(13-25(11-4-12-25)31-23(15)17)21-10-9-16(14-28-21)29-24(30)22-19(26)7-3-8-20(22)27/h2-3,5-10,13-14H,4,11-12H2,1H3,(H,29,30)
InChIKeyITOFUYILUVTDIM-UHFFFAOYSA-N
XLogP5.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.44
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2,6-difluorobenzamide
CID 70311383
N-[6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]-2,6-difluorobenzamide
CID 86764413
2,6-difluoro-N-[6-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]-3-pyridinyl]benzamide
CID 24775811
2,6-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53164645
N-(6-bromo-3-pyridinyl)-2,6-difluorobenzamide;2,6-difluoro-N-[6-(2,2,6-trimethyl-4-oxo-3H-chromen-7-yl)-3-pyridinyl]benzamide;2,2,6-trimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-chromen-4-one
CID 158271183
N-[6-(7-cyclopropyl-3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]-2,6-difluorobenzamide
CID 86763752
2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
CID 143234800
N-[6-[(2,5-difluorophenyl)methyl]-3-pyridinyl]-2,6-difluorobenzamide
CID 58486951
N-[5-(2,2-dihydroxy-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide
CID 123737988
N-[6-(7-ethyl-3-methyl-2-oxo-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-pyridinyl]-2,6-difluorobenzamide
CID 86763409
N-[6-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide;hydrochloride
CID 24776094
N-[5-[5-(dimethylamino)-2,4-dimethylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide
CID 123961804

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[6-(8-methylspiro[chromene-2,1'-cyclobutane]-4-yl)-3-pyridinyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[6-(8-methylspiro[chromene-2,1'-cyclobutane]-4-yl)-3-pyridinyl]benzamide (CID 87056739) is 2,6-difluoro-N-[6-(8-methylspiro[chromene-2,1'-cyclobutane]-4-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[6-(8-methylspiro[chromene-2,1'-cyclobutane]-4-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[6-(8-methylspiro[chromene-2,1'-cyclobutane]-4-yl)-3-pyridinyl]benzamide is Cc1cccc2c1OC1(C=C2c2ccc(NC(=O)c3c(F)cccc3F)cn2)CCC1.
What is the InChIKey of 2,6-difluoro-N-[6-(8-methylspiro[chromene-2,1'-cyclobutane]-4-yl)-3-pyridinyl]benzamide?
The InChIKey is ITOFUYILUVTDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N2O2/c1-15-5-2-6-17-18(13-25(11-4-12-25)31-23(15)17)21-10-9-16(14-28-21)29-24(30)22-19(26)7-3-8-20(22)27/h2-3,5-10,13-14H,4,11-12H2,1H3,(H,29,30).
What are the key properties of 2,6-difluoro-N-[6-(8-methylspiro[chromene-2,1'-cyclobutane]-4-yl)-3-pyridinyl]benzamide?
2,6-difluoro-N-[6-(8-methylspiro[chromene-2,1'-cyclobutane]-4-yl)-3-pyridinyl]benzamide has a molecular weight of 418.44 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[6-(8-methylspiro[chromene-2,1'-cyclobutane]-4-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 87056739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).