N-[[(2R,3aR,6aR)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide

C20H24FN3O2 — CID 97379405

IUPACN-[[(2R,3aR,6aR)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC[C@H]1C[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]2O1
InChIInChI=1S/C20H24FN3O2/c1-23-8-2-3-18(23)20(25)22-10-17-9-15-12-24(13-19(15)26-17)11-14-4-6-16(21)7-5-14/h2-8,15,17,19H,9-13H2,1H3,(H,22,25)/t15-,17-,19+/m1/s1
InChIKeyUNEDVUCKKOMRSS-SUMDDJOVSA-N
MW357.43 g/mol
LogP2.18
Rot. Bonds5

About N-[[(2R,3aR,6aR)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide

N-[[(2R,3aR,6aR)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 97379405) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[[(2R,3aR,6aR)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3aR,6aR)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide
PubChem CID97379405
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC NameN-[[(2R,3aR,6aR)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC[C@H]1C[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]2O1
InChIInChI=1S/C20H24FN3O2/c1-23-8-2-3-18(23)20(25)22-10-17-9-15-12-24(13-19(15)26-17)11-14-4-6-16(21)7-5-14/h2-8,15,17,19H,9-13H2,1H3,(H,22,25)/t15-,17-,19+/m1/s1
InChIKeyUNEDVUCKKOMRSS-SUMDDJOVSA-N
XLogP2.18
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(2R,3aR,6aR)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide with MolForge

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Related Compounds

N-[[(2R,3aR,6aR)-5-(furan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 97415698
N-[[(2S,3aS,6aS)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 124816311
1-[(2R,3aR,6aR)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid)
CID 155845791
(4-fluorophenyl)methyl 4-[[(1-methylpyrrole-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 10270687
N-[[(2S,3aS,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]thiophene-3-carboxamide
CID 124813428
2-[(2R,3aS,6aS)-5-benzyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(cyclopropylmethyl)acetamide;2,2,2-trifluoroacetic acid
CID 155851872
N-[[(3R,3aR,6aR)-5-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 124800566
(3aS,6aS)-5-[(4-fluorophenyl)methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 169122987
N-[2-[[2-(4-fluorobenzoyl)benzoyl]amino]ethyl]-1-methylpyrrole-2-carboxamide
CID 39976491
N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
[(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 133139984
1-benzyl-N-[(2-phenylcyclopropyl)methyl]pyrrole-2-carboxamide
CID 86936385

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3aR,6aR)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[[(2R,3aR,6aR)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide (CID 97379405) is N-[[(2R,3aR,6aR)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[[(2R,3aR,6aR)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[[(2R,3aR,6aR)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NC[C@H]1C[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]2O1.
What is the InChIKey of N-[[(2R,3aR,6aR)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is UNEDVUCKKOMRSS-SUMDDJOVSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-23-8-2-3-18(23)20(25)22-10-17-9-15-12-24(13-19(15)26-17)11-14-4-6-16(21)7-5-14/h2-8,15,17,19H,9-13H2,1H3,(H,22,25)/t15-,17-,19+/m1/s1.
What are the key properties of N-[[(2R,3aR,6aR)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide?
N-[[(2R,3aR,6aR)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3aR,6aR)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 97379405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).