5-(4-fluorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-2-carboxamide

C21H19FN2O3 — CID 8967449

IUPAC5-(4-fluorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-2-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2ccc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C21H19FN2O3/c1-23-20(25)16-5-3-14(4-6-16)13-24(2)21(26)19-12-11-18(27-19)15-7-9-17(22)10-8-15/h3-12H,13H2,1-2H3,(H,23,25)
InChIKeyHAWJZSSPVFEGSA-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.72
Rot. Bonds5

About 5-(4-fluorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-2-carboxamide

5-(4-fluorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-2-carboxamide (PubChem CID 8967449) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-2-carboxamide
PubChem CID8967449
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC Name5-(4-fluorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-2-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2ccc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C21H19FN2O3/c1-23-20(25)16-5-3-14(4-6-16)13-24(2)21(26)19-12-11-18(27-19)15-7-9-17(22)10-8-15/h3-12H,13H2,1-2H3,(H,23,25)
InChIKeyHAWJZSSPVFEGSA-UHFFFAOYSA-N
XLogP3.72
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide
CID 18111620
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 8533422
4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]-N-methylbenzamide
CID 42540179
5-(4-fluorophenyl)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]furan-2-carboxamide
CID 37155018
N-cyclopropyl-5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 18133644
4-[[[4-[ethyl(methyl)amino]benzoyl]-methylamino]methyl]-N-methylbenzamide
CID 51094891
5-(4-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide
CID 109399945
4-[[[2-(4-fluorophenyl)cyclopropanecarbonyl]-methylamino]methyl]-N-methylbenzamide
CID 51292326
N-[3-chloro-4-(methylcarbamoyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 94632130
4-[[5-(4-fluorophenyl)furan-2-yl]methylsulfamoyl]-N-methylbenzamide
CID 30784702
1-[5-(4-fluorophenyl)furan-2-yl]propan-1-one
CID 62632212
2-bromo-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide
CID 106853464

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-2-carboxamide (CID 8967449) is 5-(4-fluorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-2-carboxamide is CNC(=O)c1ccc(CN(C)C(=O)c2ccc(-c3ccc(F)cc3)o2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-2-carboxamide?
The InChIKey is HAWJZSSPVFEGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-23-20(25)16-5-3-14(4-6-16)13-24(2)21(26)19-12-11-18(27-19)15-7-9-17(22)10-8-15/h3-12H,13H2,1-2H3,(H,23,25).
What are the key properties of 5-(4-fluorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-2-carboxamide?
5-(4-fluorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-2-carboxamide has a molecular weight of 366.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 8967449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).