3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-fluorophenyl)propanamide;hydrochloride

C15H21ClFN3O — CID 120663779

IUPAC3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-fluorophenyl)propanamide;hydrochloride
SMILESCl.O=C(CCN1C[C@H]2CNC[C@H]2C1)Nc1ccccc1F
InChIInChI=1S/C15H20FN3O.ClH/c16-13-3-1-2-4-14(13)18-15(20)5-6-19-9-11-7-17-8-12(11)10-19;/h1-4,11-12,17H,5-10H2,(H,18,20);1H/t11-,12+;
InChIKeyRZVYKXPXUBUHRT-IWKKHLOMSA-N
MW313.80 g/mol
LogP1.73
Rot. Bonds4

About 3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-fluorophenyl)propanamide;hydrochloride

3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-fluorophenyl)propanamide;hydrochloride (PubChem CID 120663779) has the molecular formula C15H21ClFN3O and a molecular weight of 313.80 g/mol. Its IUPAC name is 3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-fluorophenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-fluorophenyl)propanamide;hydrochloride
PubChem CID120663779
Molecular FormulaC15H21ClFN3O
Molecular Weight313.80 g/mol
Exact Mass313.14
IUPAC Name3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-fluorophenyl)propanamide;hydrochloride
SMILESCl.O=C(CCN1C[C@H]2CNC[C@H]2C1)Nc1ccccc1F
InChIInChI=1S/C15H20FN3O.ClH/c16-13-3-1-2-4-14(13)18-15(20)5-6-19-9-11-7-17-8-12(11)10-19;/h1-4,11-12,17H,5-10H2,(H,18,20);1H/t11-,12+;
InChIKeyRZVYKXPXUBUHRT-IWKKHLOMSA-N
XLogP1.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.80
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-fluorophenyl)propanamide;hydrochloride with MolForge

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Related Compounds

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CID 120663957
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2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2,4-difluorophenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-fluorophenyl)propanamide;hydrochloride?
The IUPAC name of 3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-fluorophenyl)propanamide;hydrochloride (CID 120663779) is 3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-fluorophenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-fluorophenyl)propanamide;hydrochloride?
The canonical SMILES for 3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-fluorophenyl)propanamide;hydrochloride is Cl.O=C(CCN1C[C@H]2CNC[C@H]2C1)Nc1ccccc1F.
What is the InChIKey of 3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-fluorophenyl)propanamide;hydrochloride?
The InChIKey is RZVYKXPXUBUHRT-IWKKHLOMSA-N. The full InChI is InChI=1S/C15H20FN3O.ClH/c16-13-3-1-2-4-14(13)18-15(20)5-6-19-9-11-7-17-8-12(11)10-19;/h1-4,11-12,17H,5-10H2,(H,18,20);1H/t11-,12+;.
What are the key properties of 3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-fluorophenyl)propanamide;hydrochloride?
3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-fluorophenyl)propanamide;hydrochloride has a molecular weight of 313.80 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-fluorophenyl)propanamide;hydrochloride is sourced from PubChem (CID 120663779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).