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

C26H22ClFN2O2 — CID 3334338

IUPAC5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(CN(Cc2ccccc2)Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C26H22ClFN2O2/c27-21-12-10-20(11-13-21)17-30(16-19-6-2-1-3-7-19)18-22-14-15-25(32-22)26(31)29-24-9-5-4-8-23(24)28/h1-15H,16-18H2,(H,29,31)
InChIKeyKBHPSFSMWUCUNG-UHFFFAOYSA-N
MW448.93 g/mol
LogP6.53
Rot. Bonds8

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

5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide (PubChem CID 3334338) has the molecular formula C26H22ClFN2O2 and a molecular weight of 448.93 g/mol. Its IUPAC name is 5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide
PubChem CID3334338
Molecular FormulaC26H22ClFN2O2
Molecular Weight448.93 g/mol
Exact Mass448.14
IUPAC Name5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(CN(Cc2ccccc2)Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C26H22ClFN2O2/c27-21-12-10-20(11-13-21)17-30(16-19-6-2-1-3-7-19)18-22-14-15-25(32-22)26(31)29-24-9-5-4-8-23(24)28/h1-15H,16-18H2,(H,29,31)
InChIKeyKBHPSFSMWUCUNG-UHFFFAOYSA-N
XLogP6.53
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.93
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide
CID 42753793
5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]furan-2-carboxylic acid
CID 42750653
5-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 5110076
5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide
CID 3944188
5-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)furan-2-carboxamide
CID 15605179
5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 3908197
N-(2-fluorophenyl)-5-methylfuran-2-carboxamide
CID 3297570
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-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide
CID 42753633
N-(2-fluorophenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide
CID 22587884
5-[(2-butoxy-5-chlorophenyl)methyl]-N-(2-fluorophenyl)furan-2-carboxamide
CID 71051932

Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide?
The IUPAC name of 5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide (CID 3334338) is 5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide is O=C(Nc1ccccc1F)c1ccc(CN(Cc2ccccc2)Cc2ccc(Cl)cc2)o1.
What is the InChIKey of 5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide?
The InChIKey is KBHPSFSMWUCUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClFN2O2/c27-21-12-10-20(11-13-21)17-30(16-19-6-2-1-3-7-19)18-22-14-15-25(32-22)26(31)29-24-9-5-4-8-23(24)28/h1-15H,16-18H2,(H,29,31).
What are the key properties of 5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide?
5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide has a molecular weight of 448.93 g/mol, XLogP of 6.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 3334338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).