(3aR,6S,6aR)-4-[(2-fluorophenyl)methyl]-N,N-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide

C16H21FN2O2 — CID 98895812

IUPAC(3aR,6S,6aR)-4-[(2-fluorophenyl)methyl]-N,N-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
SMILESCN(C)C(=O)[C@H]1CN(Cc2ccccc2F)[C@@H]2CCO[C@H]12
InChIInChI=1S/C16H21FN2O2/c1-18(2)16(20)12-10-19(14-7-8-21-15(12)14)9-11-5-3-4-6-13(11)17/h3-6,12,14-15H,7-10H2,1-2H3/t12-,14+,15+/m0/s1
InChIKeyOTBUJYHYUUJLLE-NWANDNLSSA-N
MW292.35 g/mol
LogP1.50
Rot. Bonds3

About (3aR,6S,6aR)-4-[(2-fluorophenyl)methyl]-N,N-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide

(3aR,6S,6aR)-4-[(2-fluorophenyl)methyl]-N,N-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide (PubChem CID 98895812) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is (3aR,6S,6aR)-4-[(2-fluorophenyl)methyl]-N,N-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide.

Molecular Properties

Compound Name(3aR,6S,6aR)-4-[(2-fluorophenyl)methyl]-N,N-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
PubChem CID98895812
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name(3aR,6S,6aR)-4-[(2-fluorophenyl)methyl]-N,N-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
SMILESCN(C)C(=O)[C@H]1CN(Cc2ccccc2F)[C@@H]2CCO[C@H]12
InChIInChI=1S/C16H21FN2O2/c1-18(2)16(20)12-10-19(14-7-8-21-15(12)14)9-11-5-3-4-6-13(11)17/h3-6,12,14-15H,7-10H2,1-2H3/t12-,14+,15+/m0/s1
InChIKeyOTBUJYHYUUJLLE-NWANDNLSSA-N
XLogP1.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aR,6S,6aR)-4-[(2-fluorophenyl)methyl]-N,N-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide with MolForge

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Related Compounds

3-ethylsulfonyl-6-[(2-fluorophenyl)methyl]-3,6-diazabicyclo[3.2.0]heptane
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(5R,9S)-2-[(2-fluorophenyl)methyl]-N,N-dimethyl-2-azaspiro[4.4]nonane-9-carboxamide
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1-(2-bromocyclopropyl)-2-(2-fluorophenyl)ethanone
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1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
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5-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-ol
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3-[(3S,3aR,7aR)-1-[(3-fluorophenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]-1,1-dimethylurea
CID 97461325
methyl 4-[(2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 113247715
methyl 4-[(2-fluorophenyl)methyl]morpholine-2-carboxylate
CID 78926315
3-[(3S,3aS,7aS)-1-[(2-methoxy-3-pyridinyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]-1,1-dimethylurea
CID 97460361

Frequently Asked Questions

What is the IUPAC name of (3aR,6S,6aR)-4-[(2-fluorophenyl)methyl]-N,N-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
The IUPAC name of (3aR,6S,6aR)-4-[(2-fluorophenyl)methyl]-N,N-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide (CID 98895812) is (3aR,6S,6aR)-4-[(2-fluorophenyl)methyl]-N,N-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide.
What is the SMILES notation for (3aR,6S,6aR)-4-[(2-fluorophenyl)methyl]-N,N-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
The canonical SMILES for (3aR,6S,6aR)-4-[(2-fluorophenyl)methyl]-N,N-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide is CN(C)C(=O)[C@H]1CN(Cc2ccccc2F)[C@@H]2CCO[C@H]12.
What is the InChIKey of (3aR,6S,6aR)-4-[(2-fluorophenyl)methyl]-N,N-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
The InChIKey is OTBUJYHYUUJLLE-NWANDNLSSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-18(2)16(20)12-10-19(14-7-8-21-15(12)14)9-11-5-3-4-6-13(11)17/h3-6,12,14-15H,7-10H2,1-2H3/t12-,14+,15+/m0/s1.
What are the key properties of (3aR,6S,6aR)-4-[(2-fluorophenyl)methyl]-N,N-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
(3aR,6S,6aR)-4-[(2-fluorophenyl)methyl]-N,N-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide has a molecular weight of 292.35 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,6aR)-4-[(2-fluorophenyl)methyl]-N,N-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide is sourced from PubChem (CID 98895812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).