5-(3,5-dichlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide

C20H17Cl2NO2 — CID 2214306

IUPAC5-(3,5-dichlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide
SMILESCc1oc(-c2cc(Cl)cc(Cl)c2)cc1C(=O)NCCc1ccccc1
InChIInChI=1S/C20H17Cl2NO2/c1-13-18(20(24)23-8-7-14-5-3-2-4-6-14)12-19(25-13)15-9-16(21)11-17(22)10-15/h2-6,9-12H,7-8H2,1H3,(H,23,24)
InChIKeySEKJOKMFJROOIY-UHFFFAOYSA-N
MW374.27 g/mol
LogP5.53
Rot. Bonds5

About 5-(3,5-dichlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide

5-(3,5-dichlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide (PubChem CID 2214306) has the molecular formula C20H17Cl2NO2 and a molecular weight of 374.27 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide
PubChem CID2214306
Molecular FormulaC20H17Cl2NO2
Molecular Weight374.27 g/mol
Exact Mass373.06
IUPAC Name5-(3,5-dichlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide
SMILESCc1oc(-c2cc(Cl)cc(Cl)c2)cc1C(=O)NCCc1ccccc1
InChIInChI=1S/C20H17Cl2NO2/c1-13-18(20(24)23-8-7-14-5-3-2-4-6-14)12-19(25-13)15-9-16(21)11-17(22)10-15/h2-6,9-12H,7-8H2,1H3,(H,23,24)
InChIKeySEKJOKMFJROOIY-UHFFFAOYSA-N
XLogP5.53
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.27
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide?
The IUPAC name of 5-(3,5-dichlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide (CID 2214306) is 5-(3,5-dichlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide?
The canonical SMILES for 5-(3,5-dichlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide is Cc1oc(-c2cc(Cl)cc(Cl)c2)cc1C(=O)NCCc1ccccc1.
What is the InChIKey of 5-(3,5-dichlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide?
The InChIKey is SEKJOKMFJROOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO2/c1-13-18(20(24)23-8-7-14-5-3-2-4-6-14)12-19(25-13)15-9-16(21)11-17(22)10-15/h2-6,9-12H,7-8H2,1H3,(H,23,24).
What are the key properties of 5-(3,5-dichlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide?
5-(3,5-dichlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide has a molecular weight of 374.27 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide is sourced from PubChem (CID 2214306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).