N-[3-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide

C23H18ClF3N2O5 — CID 163939105

About N-[3-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide

N-[3-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide (PubChem CID 163939105) has the molecular formula C23H18ClF3N2O5 and a molecular weight of 494.85 g/mol. Its IUPAC name is N-[3-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide
• PubChem CID: 163939105
• Molecular Formula: C23H18ClF3N2O5
• Molecular Weight: 494.85 g/mol
• Exact Mass: 494.09
• IUPAC Name: N-[3-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide
• SMILES: O=C(NC12CC(CC(=O)[C@H]3CC(=O)c4cc(Cl)ccc4O3)(C1)C2)c1ccc(OC(F)(F)F)cn1
• InChI: InChI=1S/C23H18ClF3N2O5/c24-12-1-4-18-14(5-12)16(30)6-19(33-18)17(31)7-21-9-22(10-21,11-21)29-20(32)15-3-2-13(8-28-15)34-23(25,26)27/h1-5,8,19H,6-7,9-11H2,(H,29,32)/t19-,21?,22?/m1/s1
• InChIKey: RPKQSXFSRNSHHF-JSRJAPPDSA-N
• XLogP: 4.28
• TPSA: 94.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.85
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide?

The IUPAC name of N-[3-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide (CID 163939105) is N-[3-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide.

What is the SMILES notation for N-[3-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide?

The canonical SMILES for N-[3-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide is O=C(NC12CC(CC(=O)[C@H]3CC(=O)c4cc(Cl)ccc4O3)(C1)C2)c1ccc(OC(F)(F)F)cn1.

What is the InChIKey of N-[3-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide?

The InChIKey is RPKQSXFSRNSHHF-JSRJAPPDSA-N. The full InChI is InChI=1S/C23H18ClF3N2O5/c24-12-1-4-18-14(5-12)16(30)6-19(33-18)17(31)7-21-9-22(10-21,11-21)29-20(32)15-3-2-13(8-28-15)34-23(25,26)27/h1-5,8,19H,6-7,9-11H2,(H,29,32)/t19-,21?,22?/m1/s1.

What are the key properties of N-[3-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide?

N-[3-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide has a molecular weight of 494.85 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 163939105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).