5-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-N-(4-fluorophenyl)furan-2-carboxamide

C27H25FN2O2 — CID 5110076

IUPAC5-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-N-(4-fluorophenyl)furan-2-carboxamide
SMILESCc1ccc(CN(Cc2ccccc2)Cc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1
InChIInChI=1S/C27H25FN2O2/c1-20-7-9-22(10-8-20)18-30(17-21-5-3-2-4-6-21)19-25-15-16-26(32-25)27(31)29-24-13-11-23(28)12-14-24/h2-16H,17-19H2,1H3,(H,29,31)
InChIKeyAYGYGCRDOLQZMK-UHFFFAOYSA-N
MW428.51 g/mol
LogP6.18
Rot. Bonds8

About 5-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-N-(4-fluorophenyl)furan-2-carboxamide

5-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-N-(4-fluorophenyl)furan-2-carboxamide (PubChem CID 5110076) has the molecular formula C27H25FN2O2 and a molecular weight of 428.51 g/mol. Its IUPAC name is 5-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-N-(4-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-N-(4-fluorophenyl)furan-2-carboxamide
PubChem CID5110076
Molecular FormulaC27H25FN2O2
Molecular Weight428.51 g/mol
Exact Mass428.19
IUPAC Name5-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-N-(4-fluorophenyl)furan-2-carboxamide
SMILESCc1ccc(CN(Cc2ccccc2)Cc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1
InChIInChI=1S/C27H25FN2O2/c1-20-7-9-22(10-8-20)18-30(17-21-5-3-2-4-6-21)19-25-15-16-26(32-25)27(31)29-24-13-11-23(28)12-14-24/h2-16H,17-19H2,1H3,(H,29,31)
InChIKeyAYGYGCRDOLQZMK-UHFFFAOYSA-N
XLogP6.18
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.51
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide
CID 42753705
5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide
CID 3334338
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-(2-methylpropyl)furan-2-carboxamide
CID 42753699
5-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide
CID 42753633
5-[(4-fluorophenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 19413095
5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide
CID 42753793
5-[[1,3-benzodioxol-5-ylmethyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 4686967
2-(dibenzylamino)-N-(4-methylphenyl)acetamide
CID 18870817
N-[(2S)-butan-2-yl]-5-[(dibenzylamino)methyl]furan-2-carboxamide
CID 7482215
5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
1-[4-[[bis[[4-[(4-methylphenyl)carbamoylamino]phenyl]methyl]amino]methyl]phenyl]-3-(4-methylphenyl)urea
CID 72544901

Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-N-(4-fluorophenyl)furan-2-carboxamide?
The IUPAC name of 5-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-N-(4-fluorophenyl)furan-2-carboxamide (CID 5110076) is 5-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-N-(4-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-N-(4-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-N-(4-fluorophenyl)furan-2-carboxamide is Cc1ccc(CN(Cc2ccccc2)Cc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1.
What is the InChIKey of 5-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-N-(4-fluorophenyl)furan-2-carboxamide?
The InChIKey is AYGYGCRDOLQZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN2O2/c1-20-7-9-22(10-8-20)18-30(17-21-5-3-2-4-6-21)19-25-15-16-26(32-25)27(31)29-24-13-11-23(28)12-14-24/h2-16H,17-19H2,1H3,(H,29,31).
What are the key properties of 5-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-N-(4-fluorophenyl)furan-2-carboxamide?
5-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-N-(4-fluorophenyl)furan-2-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 6.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-N-(4-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 5110076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).