2-[(3S,3aR,7aR)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide

C22H24F2N2O2 — CID 110148336

IUPAC2-[(3S,3aR,7aR)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide
SMILESCc1c(F)cccc1NC(=O)CN1C[C@H](c2ccc(F)cc2)[C@H]2COCC[C@H]21
InChIInChI=1S/C22H24F2N2O2/c1-14-19(24)3-2-4-20(14)25-22(27)12-26-11-17(15-5-7-16(23)8-6-15)18-13-28-10-9-21(18)26/h2-8,17-18,21H,9-13H2,1H3,(H,25,27)/t17-,18-,21-/m1/s1
InChIKeyVNTCVEJTOHYKLV-DBXWQHBBSA-N
MW386.44 g/mol
LogP3.72
Rot. Bonds4

About 2-[(3S,3aR,7aR)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide

2-[(3S,3aR,7aR)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide (PubChem CID 110148336) has the molecular formula C22H24F2N2O2 and a molecular weight of 386.44 g/mol. Its IUPAC name is 2-[(3S,3aR,7aR)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3S,3aR,7aR)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide
PubChem CID110148336
Molecular FormulaC22H24F2N2O2
Molecular Weight386.44 g/mol
Exact Mass386.18
IUPAC Name2-[(3S,3aR,7aR)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide
SMILESCc1c(F)cccc1NC(=O)CN1C[C@H](c2ccc(F)cc2)[C@H]2COCC[C@H]21
InChIInChI=1S/C22H24F2N2O2/c1-14-19(24)3-2-4-20(14)25-22(27)12-26-11-17(15-5-7-16(23)8-6-15)18-13-28-10-9-21(18)26/h2-8,17-18,21H,9-13H2,1H3,(H,25,27)/t17-,18-,21-/m1/s1
InChIKeyVNTCVEJTOHYKLV-DBXWQHBBSA-N
XLogP3.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3S,3aR,7aR)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,3aR,7aR)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-[(3S,3aR,7aR)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide (CID 110148336) is 2-[(3S,3aR,7aR)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3S,3aR,7aR)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[(3S,3aR,7aR)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide is Cc1c(F)cccc1NC(=O)CN1C[C@H](c2ccc(F)cc2)[C@H]2COCC[C@H]21.
What is the InChIKey of 2-[(3S,3aR,7aR)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide?
The InChIKey is VNTCVEJTOHYKLV-DBXWQHBBSA-N. The full InChI is InChI=1S/C22H24F2N2O2/c1-14-19(24)3-2-4-20(14)25-22(27)12-26-11-17(15-5-7-16(23)8-6-15)18-13-28-10-9-21(18)26/h2-8,17-18,21H,9-13H2,1H3,(H,25,27)/t17-,18-,21-/m1/s1.
What are the key properties of 2-[(3S,3aR,7aR)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide?
2-[(3S,3aR,7aR)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide has a molecular weight of 386.44 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,3aR,7aR)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 110148336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).