5-(4-fluorophenyl)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]furan-2-carboxamide

C21H20FNO3 — CID 37155018

About 5-(4-fluorophenyl)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]furan-2-carboxamide

5-(4-fluorophenyl)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]furan-2-carboxamide (PubChem CID 37155018) has the molecular formula C21H20FNO3 and a molecular weight of 353.39 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-(4-fluorophenyl)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]furan-2-carboxamide
• PubChem CID: 37155018
• Molecular Formula: C21H20FNO3
• Molecular Weight: 353.39 g/mol
• Exact Mass: 353.14
• IUPAC Name: 5-(4-fluorophenyl)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]furan-2-carboxamide
• SMILES: C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2ccc(-c3ccc(F)cc3)o2)o1
• InChI: InChI=1S/C21H20FNO3/c1-13-11-17(13)19-8-7-16(25-19)12-23(2)21(24)20-10-9-18(26-20)14-3-5-15(22)6-4-14/h3-10,13,17H,11-12H2,1-2H3/t13-,17+/m1/s1
• InChIKey: LHZBFUGJAFMVIM-DYVFJYSZSA-N
• XLogP: 5.07
• TPSA: 46.59 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	353.39
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]furan-2-carboxamide?

The IUPAC name of 5-(4-fluorophenyl)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]furan-2-carboxamide (CID 37155018) is 5-(4-fluorophenyl)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]furan-2-carboxamide.

What is the SMILES notation for 5-(4-fluorophenyl)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]furan-2-carboxamide?

The canonical SMILES for 5-(4-fluorophenyl)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]furan-2-carboxamide is C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2ccc(-c3ccc(F)cc3)o2)o1.

What is the InChIKey of 5-(4-fluorophenyl)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]furan-2-carboxamide?

The InChIKey is LHZBFUGJAFMVIM-DYVFJYSZSA-N. The full InChI is InChI=1S/C21H20FNO3/c1-13-11-17(13)19-8-7-16(25-19)12-23(2)21(24)20-10-9-18(26-20)14-3-5-15(22)6-4-14/h3-10,13,17H,11-12H2,1-2H3/t13-,17+/m1/s1.

What are the key properties of 5-(4-fluorophenyl)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]furan-2-carboxamide?

5-(4-fluorophenyl)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]furan-2-carboxamide has a molecular weight of 353.39 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-fluorophenyl)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 37155018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).