6-bromo-2-(2-fluoro-5-methylphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide

C22H20BrFN2O3 — CID 95184857

About 6-bromo-2-(2-fluoro-5-methylphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide

6-bromo-2-(2-fluoro-5-methylphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide (PubChem CID 95184857) has the molecular formula C22H20BrFN2O3 and a molecular weight of 459.32 g/mol. Its IUPAC name is 6-bromo-2-(2-fluoro-5-methylphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide.

Molecular Properties

• Compound Name: 6-bromo-2-(2-fluoro-5-methylphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
• PubChem CID: 95184857
• Molecular Formula: C22H20BrFN2O3
• Molecular Weight: 459.32 g/mol
• Exact Mass: 458.06
• IUPAC Name: 6-bromo-2-(2-fluoro-5-methylphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
• SMILES: Cc1ccc(F)c(/N=c2\oc3ccc(Br)cc3cc2C(=O)NC[C@H]2CCCO2)c1
• InChI: InChI=1S/C22H20BrFN2O3/c1-13-4-6-18(24)19(9-13)26-22-17(21(27)25-12-16-3-2-8-28-16)11-14-10-15(23)5-7-20(14)29-22/h4-7,9-11,16H,2-3,8,12H2,1H3,(H,25,27)/b26-22-/t16-/m1/s1
• InChIKey: YGCJBMPXHJIRAT-ZLXSMEDCSA-N
• XLogP: 4.78
• TPSA: 63.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.32
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-fluoro-5-methylphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide?

The IUPAC name of 6-bromo-2-(2-fluoro-5-methylphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide (CID 95184857) is 6-bromo-2-(2-fluoro-5-methylphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide.

What is the SMILES notation for 6-bromo-2-(2-fluoro-5-methylphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide?

The canonical SMILES for 6-bromo-2-(2-fluoro-5-methylphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide is Cc1ccc(F)c(/N=c2\oc3ccc(Br)cc3cc2C(=O)NC[C@H]2CCCO2)c1.

What is the InChIKey of 6-bromo-2-(2-fluoro-5-methylphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide?

The InChIKey is YGCJBMPXHJIRAT-ZLXSMEDCSA-N. The full InChI is InChI=1S/C22H20BrFN2O3/c1-13-4-6-18(24)19(9-13)26-22-17(21(27)25-12-16-3-2-8-28-16)11-14-10-15(23)5-7-20(14)29-22/h4-7,9-11,16H,2-3,8,12H2,1H3,(H,25,27)/b26-22-/t16-/m1/s1.

What are the key properties of 6-bromo-2-(2-fluoro-5-methylphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide?

6-bromo-2-(2-fluoro-5-methylphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide has a molecular weight of 459.32 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-2-(2-fluoro-5-methylphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide is sourced from PubChem (CID 95184857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).