2-fluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,1'-cyclobutane]-7-yl)phenyl]benzamide

C26H22FNO3 — CID 87056429

IUPAC2-fluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,1'-cyclobutane]-7-yl)phenyl]benzamide
SMILESCc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3F)cc1)OC1(CCC1)CC2=O
InChIInChI=1S/C26H22FNO3/c1-16-13-21-23(29)15-26(11-4-12-26)31-24(21)14-20(16)17-7-9-18(10-8-17)28-25(30)19-5-2-3-6-22(19)27/h2-3,5-10,13-14H,4,11-12,15H2,1H3,(H,28,30)
InChIKeyDCEFDDFGEIHYGO-UHFFFAOYSA-N
MW415.46 g/mol
LogP5.94
Rot. Bonds3

About 2-fluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,1'-cyclobutane]-7-yl)phenyl]benzamide

2-fluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,1'-cyclobutane]-7-yl)phenyl]benzamide (PubChem CID 87056429) has the molecular formula C26H22FNO3 and a molecular weight of 415.46 g/mol. Its IUPAC name is 2-fluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,1'-cyclobutane]-7-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,1'-cyclobutane]-7-yl)phenyl]benzamide
PubChem CID87056429
Molecular FormulaC26H22FNO3
Molecular Weight415.46 g/mol
Exact Mass415.16
IUPAC Name2-fluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,1'-cyclobutane]-7-yl)phenyl]benzamide
SMILESCc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3F)cc1)OC1(CCC1)CC2=O
InChIInChI=1S/C26H22FNO3/c1-16-13-21-23(29)15-26(11-4-12-26)31-24(21)14-20(16)17-7-9-18(10-8-17)28-25(30)19-5-2-3-6-22(19)27/h2-3,5-10,13-14H,4,11-12,15H2,1H3,(H,28,30)
InChIKeyDCEFDDFGEIHYGO-UHFFFAOYSA-N
XLogP5.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.46
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,1'-cyclobutane]-7-yl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,1'-cyclobutane]-7-yl)phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,1'-cyclobutane]-7-yl)phenyl]benzamide (CID 87056429) is 2-fluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,1'-cyclobutane]-7-yl)phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,1'-cyclobutane]-7-yl)phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,1'-cyclobutane]-7-yl)phenyl]benzamide is Cc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3F)cc1)OC1(CCC1)CC2=O.
What is the InChIKey of 2-fluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,1'-cyclobutane]-7-yl)phenyl]benzamide?
The InChIKey is DCEFDDFGEIHYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FNO3/c1-16-13-21-23(29)15-26(11-4-12-26)31-24(21)14-20(16)17-7-9-18(10-8-17)28-25(30)19-5-2-3-6-22(19)27/h2-3,5-10,13-14H,4,11-12,15H2,1H3,(H,28,30).
What are the key properties of 2-fluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,1'-cyclobutane]-7-yl)phenyl]benzamide?
2-fluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,1'-cyclobutane]-7-yl)phenyl]benzamide has a molecular weight of 415.46 g/mol, XLogP of 5.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,1'-cyclobutane]-7-yl)phenyl]benzamide is sourced from PubChem (CID 87056429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).