5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide

C23H25FN2O2 — CID 3944188

IUPAC5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide
SMILESCCCNC(=O)c1ccc(CN(Cc2ccccc2)Cc2ccccc2F)o1
InChIInChI=1S/C23H25FN2O2/c1-2-14-25-23(27)22-13-12-20(28-22)17-26(15-18-8-4-3-5-9-18)16-19-10-6-7-11-21(19)24/h3-13H,2,14-17H2,1H3,(H,25,27)
InChIKeyJOSFFAKGGUWYNU-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.76
Rot. Bonds9

About 5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide

5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide (PubChem CID 3944188) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is 5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide
PubChem CID3944188
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Name5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide
SMILESCCCNC(=O)c1ccc(CN(Cc2ccccc2)Cc2ccccc2F)o1
InChIInChI=1S/C23H25FN2O2/c1-2-14-25-23(27)22-13-12-20(28-22)17-26(15-18-8-4-3-5-9-18)16-19-10-6-7-11-21(19)24/h3-13H,2,14-17H2,1H3,(H,25,27)
InChIKeyJOSFFAKGGUWYNU-UHFFFAOYSA-N
XLogP4.76
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 3908197
5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide
CID 42753705
5-[[(4-ethoxyphenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide
CID 4641172
5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(3-methoxypropyl)furan-2-carboxamide
CID 3493325
5-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide
CID 42753633
5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide
CID 3334338
5-[[benzyl-[(2-methylphenyl)methyl]amino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 3908956
methyl 5-[[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]furan-2-carboxylate
CID 24715033
5-[[tert-butyl-[(2-fluorophenyl)methyl]amino]methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 42750878
N-[(2S)-butan-2-yl]-5-[(dibenzylamino)methyl]furan-2-carboxamide
CID 7482215
N-benzyl-5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-carboxamide
CID 42753762
5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-N-(3-methoxypropyl)furan-2-carboxamide
CID 42753681

Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide?
The IUPAC name of 5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide (CID 3944188) is 5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide.
What is the SMILES notation for 5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide?
The canonical SMILES for 5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide is CCCNC(=O)c1ccc(CN(Cc2ccccc2)Cc2ccccc2F)o1.
What is the InChIKey of 5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide?
The InChIKey is JOSFFAKGGUWYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c1-2-14-25-23(27)22-13-12-20(28-22)17-26(15-18-8-4-3-5-9-18)16-19-10-6-7-11-21(19)24/h3-13H,2,14-17H2,1H3,(H,25,27).
What are the key properties of 5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide?
5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide has a molecular weight of 380.46 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide is sourced from PubChem (CID 3944188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).