N-[2-(2,4-dichlorophenyl)ethyl]-N-(furan-2-ylmethyl)-2-phenoxyacetamide

C21H19Cl2NO3 — CID 42709076

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-N-(furan-2-ylmethyl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N(CCc1ccc(Cl)cc1Cl)Cc1ccco1
InChIInChI=1S/C21H19Cl2NO3/c22-17-9-8-16(20(23)13-17)10-11-24(14-19-7-4-12-26-19)21(25)15-27-18-5-2-1-3-6-18/h1-9,12-13H,10-11,14-15H2
InChIKeyFPOVKLDTBLKTDU-UHFFFAOYSA-N
MW404.29 g/mol
LogP5.24
Rot. Bonds8

About N-[2-(2,4-dichlorophenyl)ethyl]-N-(furan-2-ylmethyl)-2-phenoxyacetamide

N-[2-(2,4-dichlorophenyl)ethyl]-N-(furan-2-ylmethyl)-2-phenoxyacetamide (PubChem CID 42709076) has the molecular formula C21H19Cl2NO3 and a molecular weight of 404.29 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-N-(furan-2-ylmethyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-N-(furan-2-ylmethyl)-2-phenoxyacetamide
PubChem CID42709076
Molecular FormulaC21H19Cl2NO3
Molecular Weight404.29 g/mol
Exact Mass403.07
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-N-(furan-2-ylmethyl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N(CCc1ccc(Cl)cc1Cl)Cc1ccco1
InChIInChI=1S/C21H19Cl2NO3/c22-17-9-8-16(20(23)13-17)10-11-24(14-19-7-4-12-26-19)21(25)15-27-18-5-2-1-3-6-18/h1-9,12-13H,10-11,14-15H2
InChIKeyFPOVKLDTBLKTDU-UHFFFAOYSA-N
XLogP5.24
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.29
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-N-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 19120272
2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3911221
N-(furan-2-ylmethyl)-2-[(2-phenoxyacetyl)-prop-2-enylamino]-N-(2-phenylethyl)acetamide
CID 3906755
2-(4-chlorophenoxy)-N-(4-chlorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 35181974
2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide
CID 5437642
N-(furan-2-ylmethyl)-2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 121084642
N-benzyl-2-(4-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 99141396
N-(4-chlorophenyl)-2-(2,4-dichlorophenoxy)-N-(furan-2-ylmethyl)acetamide
CID 35182106
N-(furan-2-ylmethyl)-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 90495647
N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4161219
N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 18830858
2-(2,5-dichlorophenoxy)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 99182792

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-N-(furan-2-ylmethyl)-2-phenoxyacetamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-N-(furan-2-ylmethyl)-2-phenoxyacetamide (CID 42709076) is N-[2-(2,4-dichlorophenyl)ethyl]-N-(furan-2-ylmethyl)-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-N-(furan-2-ylmethyl)-2-phenoxyacetamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-N-(furan-2-ylmethyl)-2-phenoxyacetamide is O=C(COc1ccccc1)N(CCc1ccc(Cl)cc1Cl)Cc1ccco1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-N-(furan-2-ylmethyl)-2-phenoxyacetamide?
The InChIKey is FPOVKLDTBLKTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2NO3/c22-17-9-8-16(20(23)13-17)10-11-24(14-19-7-4-12-26-19)21(25)15-27-18-5-2-1-3-6-18/h1-9,12-13H,10-11,14-15H2.
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-N-(furan-2-ylmethyl)-2-phenoxyacetamide?
N-[2-(2,4-dichlorophenyl)ethyl]-N-(furan-2-ylmethyl)-2-phenoxyacetamide has a molecular weight of 404.29 g/mol, XLogP of 5.24, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-N-(furan-2-ylmethyl)-2-phenoxyacetamide is sourced from PubChem (CID 42709076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).