5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide

C24H27FN2O2 — CID 42753705

IUPAC5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide
SMILESCCCNC(=O)c1ccc(CN(Cc2ccc(C)cc2)Cc2cccc(F)c2)o1
InChIInChI=1S/C24H27FN2O2/c1-3-13-26-24(28)23-12-11-22(29-23)17-27(15-19-9-7-18(2)8-10-19)16-20-5-4-6-21(25)14-20/h4-12,14H,3,13,15-17H2,1-2H3,(H,26,28)
InChIKeyAICUXBKETIUGLS-UHFFFAOYSA-N
MW394.49 g/mol
LogP5.07
Rot. Bonds9

About 5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide

5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide (PubChem CID 42753705) has the molecular formula C24H27FN2O2 and a molecular weight of 394.49 g/mol. Its IUPAC name is 5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide
PubChem CID42753705
Molecular FormulaC24H27FN2O2
Molecular Weight394.49 g/mol
Exact Mass394.21
IUPAC Name5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide
SMILESCCCNC(=O)c1ccc(CN(Cc2ccc(C)cc2)Cc2cccc(F)c2)o1
InChIInChI=1S/C24H27FN2O2/c1-3-13-26-24(28)23-12-11-22(29-23)17-27(15-19-9-7-18(2)8-10-19)16-20-5-4-6-21(25)14-20/h4-12,14H,3,13,15-17H2,1-2H3,(H,26,28)
InChIKeyAICUXBKETIUGLS-UHFFFAOYSA-N
XLogP5.07
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.49
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(4-ethoxyphenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide
CID 4641172
5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 42753699
5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide
CID 3944188
5-[[(3-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 42753728
5-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 5110076
methyl 5-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxylate
CID 78807510
5-[[(3,4-dimethoxyphenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-(3-methylbutan-2-yl)furan-2-carboxamide
CID 42751023
ethyl 1-[5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-carbonyl]piperidine-3-carboxylate
CID 42753712
5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-cyclohexylfuran-2-carboxamide
CID 5038948
5-[[(3-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 3916484
N-[2-(3-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 18118749
[5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42753707

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide?
The IUPAC name of 5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide (CID 42753705) is 5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide.
What is the SMILES notation for 5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide?
The canonical SMILES for 5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide is CCCNC(=O)c1ccc(CN(Cc2ccc(C)cc2)Cc2cccc(F)c2)o1.
What is the InChIKey of 5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide?
The InChIKey is AICUXBKETIUGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O2/c1-3-13-26-24(28)23-12-11-22(29-23)17-27(15-19-9-7-18(2)8-10-19)16-20-5-4-6-21(25)14-20/h4-12,14H,3,13,15-17H2,1-2H3,(H,26,28).
What are the key properties of 5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide?
5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide has a molecular weight of 394.49 g/mol, XLogP of 5.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide is sourced from PubChem (CID 42753705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).