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

C28H25F3N2O2 — CID 42753762

IUPACN-benzyl-5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(CN(Cc2ccccc2)Cc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C28H25F3N2O2/c29-28(30,31)24-13-11-23(12-14-24)19-33(18-22-9-5-2-6-10-22)20-25-15-16-26(35-25)27(34)32-17-21-7-3-1-4-8-21/h1-16H,17-20H2,(H,32,34)
InChIKeyXPRNOISMTVWXOI-UHFFFAOYSA-N
MW478.51 g/mol
LogP6.43
Rot. Bonds9

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

N-benzyl-5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-carboxamide (PubChem CID 42753762) has the molecular formula C28H25F3N2O2 and a molecular weight of 478.51 g/mol. Its IUPAC name is N-benzyl-5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-carboxamide
PubChem CID42753762
Molecular FormulaC28H25F3N2O2
Molecular Weight478.51 g/mol
Exact Mass478.19
IUPAC NameN-benzyl-5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(CN(Cc2ccccc2)Cc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C28H25F3N2O2/c29-28(30,31)24-13-11-23(12-14-24)19-33(18-22-9-5-2-6-10-22)20-25-15-16-26(35-25)27(34)32-17-21-7-3-1-4-8-21/h1-16H,17-20H2,(H,32,34)
InChIKeyXPRNOISMTVWXOI-UHFFFAOYSA-N
XLogP6.43
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.51
LogP ≤ 56.43
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-[(2-fluorophenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 3908197
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide
CID 3944188
N-benzyl-2-[[bis[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 46147604
5-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide
CID 42753633
2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 60699275
5-[[(3-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 42753728
5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide
CID 3346175
5-[[3-methylbutyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide
CID 46043675
5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide
CID 21045842
5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]furan-2-carboxylic acid
CID 42750653

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-carboxamide?
The IUPAC name of N-benzyl-5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-carboxamide (CID 42753762) is N-benzyl-5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-carboxamide.
What is the SMILES notation for N-benzyl-5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-carboxamide?
The canonical SMILES for N-benzyl-5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-carboxamide is O=C(NCc1ccccc1)c1ccc(CN(Cc2ccccc2)Cc2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of N-benzyl-5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-carboxamide?
The InChIKey is XPRNOISMTVWXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N2O2/c29-28(30,31)24-13-11-23(12-14-24)19-33(18-22-9-5-2-6-10-22)20-25-15-16-26(35-25)27(34)32-17-21-7-3-1-4-8-21/h1-16H,17-20H2,(H,32,34).
What are the key properties of N-benzyl-5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-carboxamide?
N-benzyl-5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-carboxamide has a molecular weight of 478.51 g/mol, XLogP of 6.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-carboxamide is sourced from PubChem (CID 42753762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).