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

C27H22F4N2O2 — CID 42753793

IUPAC5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(CN(Cc2ccccc2)Cc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C27H22F4N2O2/c28-23-8-4-5-9-24(23)32-26(34)25-15-14-22(35-25)18-33(16-19-6-2-1-3-7-19)17-20-10-12-21(13-11-20)27(29,30)31/h1-15H,16-18H2,(H,32,34)
InChIKeyUQTGSGVHZUNRAV-UHFFFAOYSA-N
MW482.48 g/mol
LogP6.89
Rot. Bonds8

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

5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide (PubChem CID 42753793) has the molecular formula C27H22F4N2O2 and a molecular weight of 482.48 g/mol. Its IUPAC name is 5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide
PubChem CID42753793
Molecular FormulaC27H22F4N2O2
Molecular Weight482.48 g/mol
Exact Mass482.16
IUPAC Name5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(CN(Cc2ccccc2)Cc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C27H22F4N2O2/c28-23-8-4-5-9-24(23)32-26(34)25-15-14-22(35-25)18-33(16-19-6-2-1-3-7-19)17-20-10-12-21(13-11-20)27(29,30)31/h1-15H,16-18H2,(H,32,34)
InChIKeyUQTGSGVHZUNRAV-UHFFFAOYSA-N
XLogP6.89
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.48
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide
CID 3334338
N-benzyl-5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-carboxamide
CID 42753762
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-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 3908197
N-(2-fluorophenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide
CID 22587884
5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]furan-2-carboxylic acid
CID 42750653
N-(2-fluorophenyl)-5-methylfuran-2-carboxamide
CID 3297570
N-[(2S)-butan-2-yl]-5-[(dibenzylamino)methyl]furan-2-carboxamide
CID 7482215
5-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide
CID 42753633
5-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)furan-2-carboxamide
CID 15605179
ethyl 1-[5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-carbonyl]piperidine-3-carboxylate
CID 42753780

Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide?
The IUPAC name of 5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide (CID 42753793) is 5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide is O=C(Nc1ccccc1F)c1ccc(CN(Cc2ccccc2)Cc2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of 5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide?
The InChIKey is UQTGSGVHZUNRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F4N2O2/c28-23-8-4-5-9-24(23)32-26(34)25-15-14-22(35-25)18-33(16-19-6-2-1-3-7-19)17-20-10-12-21(13-11-20)27(29,30)31/h1-15H,16-18H2,(H,32,34).
What are the key properties of 5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide?
5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide has a molecular weight of 482.48 g/mol, XLogP of 6.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 42753793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).