5-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]furan-2-carboxamide

C22H21FN2O2 — CID 56556263

IUPAC5-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]furan-2-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(F)cc4)o3)cc2)C1
InChIInChI=1S/C22H21FN2O2/c1-15-12-13-25(14-15)19-8-6-18(7-9-19)24-22(26)21-11-10-20(27-21)16-2-4-17(23)5-3-16/h2-11,15H,12-14H2,1H3,(H,24,26)
InChIKeyCHSNPNNVMWIGIP-UHFFFAOYSA-N
MW364.42 g/mol
LogP5.18
Rot. Bonds4

About 5-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]furan-2-carboxamide

5-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]furan-2-carboxamide (PubChem CID 56556263) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]furan-2-carboxamide
PubChem CID56556263
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Name5-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]furan-2-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(F)cc4)o3)cc2)C1
InChIInChI=1S/C22H21FN2O2/c1-15-12-13-25(14-15)19-8-6-18(7-9-19)24-22(26)21-11-10-20(27-21)16-2-4-17(23)5-3-16/h2-11,15H,12-14H2,1H3,(H,24,26)
InChIKeyCHSNPNNVMWIGIP-UHFFFAOYSA-N
XLogP5.18
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.42
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(4-cyclohexylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]furan-2-carboxamide
CID 58964248
N-(4-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 18871483
5-(4-bromophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 1017506
1-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 56556091
3-bromo-5-fluoro-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56556215
N-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitrofuran-2-carboxamide chloride
CID 53352982
5-(4-fluorophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]furan-2-carboxamide
CID 99613859
4-fluoro-N-[3-methyl-1-[4-(3-methylpyrrolidin-1-yl)anilino]-1-oxobutan-2-yl]benzamide
CID 56559076
N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 27648507
N-[4-(cyanomethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 27163463
1-(4-fluorophenyl)sulfonyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]piperidine-4-carboxamide
CID 56559263
2-iodo-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559405

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]furan-2-carboxamide (CID 56556263) is 5-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]furan-2-carboxamide is CC1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(F)cc4)o3)cc2)C1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is CHSNPNNVMWIGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c1-15-12-13-25(14-15)19-8-6-18(7-9-19)24-22(26)21-11-10-20(27-21)16-2-4-17(23)5-3-16/h2-11,15H,12-14H2,1H3,(H,24,26).
What are the key properties of 5-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]furan-2-carboxamide?
5-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 56556263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).