5-chloro-3-ethyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide

C19H18ClNO2 — CID 155526643

IUPAC5-chloro-3-ethyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
SMILESCCc1c(C(=O)NCCc2ccccc2)oc2ccc(Cl)cc12
InChIInChI=1S/C19H18ClNO2/c1-2-15-16-12-14(20)8-9-17(16)23-18(15)19(22)21-11-10-13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3,(H,21,22)
InChIKeyOFHQOFONZDMITB-UHFFFAOYSA-N
MW327.81 g/mol
LogP4.62
Rot. Bonds5

About 5-chloro-3-ethyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide

5-chloro-3-ethyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide (PubChem CID 155526643) has the molecular formula C19H18ClNO2 and a molecular weight of 327.81 g/mol. Its IUPAC name is 5-chloro-3-ethyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-ethyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
PubChem CID155526643
Molecular FormulaC19H18ClNO2
Molecular Weight327.81 g/mol
Exact Mass327.10
IUPAC Name5-chloro-3-ethyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
SMILESCCc1c(C(=O)NCCc2ccccc2)oc2ccc(Cl)cc12
InChIInChI=1S/C19H18ClNO2/c1-2-15-16-12-14(20)8-9-17(16)23-18(15)19(22)21-11-10-13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3,(H,21,22)
InChIKeyOFHQOFONZDMITB-UHFFFAOYSA-N
XLogP4.62
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-3-ethyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide (CID 155526643) is 5-chloro-3-ethyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-3-ethyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-3-ethyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide is CCc1c(C(=O)NCCc2ccccc2)oc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-ethyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is OFHQOFONZDMITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO2/c1-2-15-16-12-14(20)8-9-17(16)23-18(15)19(22)21-11-10-13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3,(H,21,22).
What are the key properties of 5-chloro-3-ethyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide?
5-chloro-3-ethyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide has a molecular weight of 327.81 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155526643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).