N-(3-fluorophenyl)-N'-(furan-2-ylmethyl)pyrrolidine-1-carboximidamide

C16H18FN3O — CID 57320892

IUPACN-(3-fluorophenyl)-N'-(furan-2-ylmethyl)pyrrolidine-1-carboximidamide
SMILESFc1cccc(N/C(=N/Cc2ccco2)N2CCCC2)c1
InChIInChI=1S/C16H18FN3O/c17-13-5-3-6-14(11-13)19-16(20-8-1-2-9-20)18-12-15-7-4-10-21-15/h3-7,10-11H,1-2,8-9,12H2,(H,18,19)
InChIKeyFBSMKVFFHGMEDK-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.48
Rot. Bonds3

About N-(3-fluorophenyl)-N'-(furan-2-ylmethyl)pyrrolidine-1-carboximidamide

N-(3-fluorophenyl)-N'-(furan-2-ylmethyl)pyrrolidine-1-carboximidamide (PubChem CID 57320892) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N'-(furan-2-ylmethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N'-(furan-2-ylmethyl)pyrrolidine-1-carboximidamide
PubChem CID57320892
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN-(3-fluorophenyl)-N'-(furan-2-ylmethyl)pyrrolidine-1-carboximidamide
SMILESFc1cccc(N/C(=N/Cc2ccco2)N2CCCC2)c1
InChIInChI=1S/C16H18FN3O/c17-13-5-3-6-14(11-13)19-16(20-8-1-2-9-20)18-12-15-7-4-10-21-15/h3-7,10-11H,1-2,8-9,12H2,(H,18,19)
InChIKeyFBSMKVFFHGMEDK-UHFFFAOYSA-N
XLogP3.48
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(furan-2-ylmethyl)-N-propylpyrrolidine-1-carboximidamide;hydroiodide
CID 71925851
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111035918
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
N'-benzyl-N-phenylpyrrolidine-1-carboximidamide
CID 12889972
N'-(3-amino-2,2-dimethylpropyl)-N-(3-fluorophenyl)morpholine-4-carboximidamide
CID 134121985
1-(3-fluorophenyl)-3-[9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 3217300
(2S,3R)-5-N-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492854
(2R,3S)-5-N-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492855
[2-(3-fluoroanilino)-2-oxoethyl] N-phenylpiperidine-1-carboximidothioate
CID 9422915
N-ethyl-N'-(furan-2-ylmethyl)-4-(2-hydroxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111186043
6-fluoro-N'-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydrobromide
CID 166326339
N'-[[3-(aminomethyl)cyclohexyl]methyl]-N-(3-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carboximidamide
CID 134091967

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N'-(furan-2-ylmethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N-(3-fluorophenyl)-N'-(furan-2-ylmethyl)pyrrolidine-1-carboximidamide (CID 57320892) is N-(3-fluorophenyl)-N'-(furan-2-ylmethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-(3-fluorophenyl)-N'-(furan-2-ylmethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N-(3-fluorophenyl)-N'-(furan-2-ylmethyl)pyrrolidine-1-carboximidamide is Fc1cccc(N/C(=N/Cc2ccco2)N2CCCC2)c1.
What is the InChIKey of N-(3-fluorophenyl)-N'-(furan-2-ylmethyl)pyrrolidine-1-carboximidamide?
The InChIKey is FBSMKVFFHGMEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c17-13-5-3-6-14(11-13)19-16(20-8-1-2-9-20)18-12-15-7-4-10-21-15/h3-7,10-11H,1-2,8-9,12H2,(H,18,19).
What are the key properties of N-(3-fluorophenyl)-N'-(furan-2-ylmethyl)pyrrolidine-1-carboximidamide?
N-(3-fluorophenyl)-N'-(furan-2-ylmethyl)pyrrolidine-1-carboximidamide has a molecular weight of 287.34 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N'-(furan-2-ylmethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 57320892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).