5-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylfuran-3-carboxamide

C21H19Cl2NO3 — CID 2214201

IUPAC5-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylfuran-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)oc2C)cc1
InChIInChI=1S/C21H19Cl2NO3/c1-13-17(12-20(27-13)15-5-8-18(22)19(23)11-15)21(25)24-10-9-14-3-6-16(26-2)7-4-14/h3-8,11-12H,9-10H2,1-2H3,(H,24,25)
InChIKeyODTBRXGSPQDZDV-UHFFFAOYSA-N
MW404.29 g/mol
LogP5.54
Rot. Bonds6

About 5-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylfuran-3-carboxamide

5-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylfuran-3-carboxamide (PubChem CID 2214201) has the molecular formula C21H19Cl2NO3 and a molecular weight of 404.29 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylfuran-3-carboxamide
PubChem CID2214201
Molecular FormulaC21H19Cl2NO3
Molecular Weight404.29 g/mol
Exact Mass403.07
IUPAC Name5-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylfuran-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)oc2C)cc1
InChIInChI=1S/C21H19Cl2NO3/c1-13-17(12-20(27-13)15-5-8-18(22)19(23)11-15)21(25)24-10-9-14-3-6-16(26-2)7-4-14/h3-8,11-12H,9-10H2,1-2H3,(H,24,25)
InChIKeyODTBRXGSPQDZDV-UHFFFAOYSA-N
XLogP5.54
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.29
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylfuran-3-carboxamide?
The IUPAC name of 5-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylfuran-3-carboxamide (CID 2214201) is 5-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for 5-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylfuran-3-carboxamide is COc1ccc(CCNC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)oc2C)cc1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylfuran-3-carboxamide?
The InChIKey is ODTBRXGSPQDZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2NO3/c1-13-17(12-20(27-13)15-5-8-18(22)19(23)11-15)21(25)24-10-9-14-3-6-16(26-2)7-4-14/h3-8,11-12H,9-10H2,1-2H3,(H,24,25).
What are the key properties of 5-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylfuran-3-carboxamide?
5-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylfuran-3-carboxamide has a molecular weight of 404.29 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 2214201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).