N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide

C24H23F3N2O2 — CID 34943754

IUPACN-cyclopropyl-4-[[furan-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN(Cc2cccc(C(F)(F)F)c2)Cc2ccco2)cc1
InChIInChI=1S/C24H23F3N2O2/c25-24(26,27)20-4-1-3-18(13-20)15-29(16-22-5-2-12-31-22)14-17-6-8-19(9-7-17)23(30)28-21-10-11-21/h1-9,12-13,21H,10-11,14-16H2,(H,28,30)
InChIKeyIHAFHDZBWGOOAY-UHFFFAOYSA-N
MW428.45 g/mol
LogP5.39
Rot. Bonds8

About N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide

N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide (PubChem CID 34943754) has the molecular formula C24H23F3N2O2 and a molecular weight of 428.45 g/mol. Its IUPAC name is N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[furan-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
PubChem CID34943754
Molecular FormulaC24H23F3N2O2
Molecular Weight428.45 g/mol
Exact Mass428.17
IUPAC NameN-cyclopropyl-4-[[furan-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN(Cc2cccc(C(F)(F)F)c2)Cc2ccco2)cc1
InChIInChI=1S/C24H23F3N2O2/c25-24(26,27)20-4-1-3-18(13-20)15-29(16-22-5-2-12-31-22)14-17-6-8-19(9-7-17)23(30)28-21-10-11-21/h1-9,12-13,21H,10-11,14-16H2,(H,28,30)
InChIKeyIHAFHDZBWGOOAY-UHFFFAOYSA-N
XLogP5.39
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.45
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzamide
CID 34216722
N-cyclopropyl-4-[[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 30891357
4-[[(2-amino-2-oxoethyl)-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943139
N-cyclopropyl-4-[[furan-2-ylmethyl-[(4-nitrophenyl)methyl]amino]methyl]benzamide
CID 33216162
4-[[(2-bromophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34215979
4-[[[2-(2-bromoanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943710
N-cyclopropyl-4-[[[2-(2,4-difluoroanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 34943334
4-[[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 43061589
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]methyl]benzamide
CID 30798285
N-cyclopropyl-4-[[furan-2-ylmethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]benzamide
CID 34944156
N-cyclopropyl-4-[[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 34944479
N-cyclopropyl-4-[[(1-cyclopropyltetrazol-5-yl)methyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 55994501

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide (CID 34943754) is N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide is O=C(NC1CC1)c1ccc(CN(Cc2cccc(C(F)(F)F)c2)Cc2ccco2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide?
The InChIKey is IHAFHDZBWGOOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O2/c25-24(26,27)20-4-1-3-18(13-20)15-29(16-22-5-2-12-31-22)14-17-6-8-19(9-7-17)23(30)28-21-10-11-21/h1-9,12-13,21H,10-11,14-16H2,(H,28,30).
What are the key properties of N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide?
N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide has a molecular weight of 428.45 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide is sourced from PubChem (CID 34943754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).