5-[[benzyl(methyl)amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide

C22H22Cl2N2O2 — CID 5095437

IUPAC5-[[benzyl(methyl)amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide
SMILESCN(Cc1ccccc1)Cc1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C22H22Cl2N2O2/c1-26(14-16-5-3-2-4-6-16)15-19-9-10-21(28-19)22(27)25-12-11-17-7-8-18(23)13-20(17)24/h2-10,13H,11-12,14-15H2,1H3,(H,25,27)
InChIKeyMOYHHXYVMOVXDM-UHFFFAOYSA-N
MW417.34 g/mol
LogP5.19
Rot. Bonds8

About 5-[[benzyl(methyl)amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide

5-[[benzyl(methyl)amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide (PubChem CID 5095437) has the molecular formula C22H22Cl2N2O2 and a molecular weight of 417.34 g/mol. Its IUPAC name is 5-[[benzyl(methyl)amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[[benzyl(methyl)amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide
PubChem CID5095437
Molecular FormulaC22H22Cl2N2O2
Molecular Weight417.34 g/mol
Exact Mass416.11
IUPAC Name5-[[benzyl(methyl)amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide
SMILESCN(Cc1ccccc1)Cc1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C22H22Cl2N2O2/c1-26(14-16-5-3-2-4-6-16)15-19-9-10-21(28-19)22(27)25-12-11-17-7-8-18(23)13-20(17)24/h2-10,13H,11-12,14-15H2,1H3,(H,25,27)
InChIKeyMOYHHXYVMOVXDM-UHFFFAOYSA-N
XLogP5.19
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.34
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide
CID 5174076
1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea
CID 108989118
N-[(2,4-dichlorophenyl)methyl]-N-methyl-1-phenylmethanamine
CID 4542426
5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822185
2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 2547735
N-[2-(2,4-dichlorophenyl)ethyl]-5-[[2-[[3-methylbutanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]furan-2-carboxamide
CID 42666142
5-[[2-(2-chlorophenyl)ethylamino]methyl]-N-[2-(2-fluorophenyl)ethyl]furan-2-carboxamide
CID 59993945
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 2713418
N-[2-(2,4-dichlorophenyl)ethyl]-2,6-dihydroxybenzamide
CID 103890168
5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide
CID 3944188
N-[3-[(2,4-dichlorophenyl)methyl-methylamino]-3-oxopropyl]furan-2-carboxamide
CID 2525635
N-(2-aminoethyl)-5-[(dimethylamino)methyl]furan-2-carboxamide
CID 10104585

Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl(methyl)amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-[[benzyl(methyl)amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide (CID 5095437) is 5-[[benzyl(methyl)amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-[[benzyl(methyl)amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-[[benzyl(methyl)amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide is CN(Cc1ccccc1)Cc1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 5-[[benzyl(methyl)amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide?
The InChIKey is MOYHHXYVMOVXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N2O2/c1-26(14-16-5-3-2-4-6-16)15-19-9-10-21(28-19)22(27)25-12-11-17-7-8-18(23)13-20(17)24/h2-10,13H,11-12,14-15H2,1H3,(H,25,27).
What are the key properties of 5-[[benzyl(methyl)amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide?
5-[[benzyl(methyl)amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide has a molecular weight of 417.34 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[benzyl(methyl)amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 5095437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).