3-(4-chlorophenyl)-5-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide

C20H20ClNO2 — CID 67850385

IUPAC3-(4-chlorophenyl)-5-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCC(C)C)c(-c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C20H20ClNO2/c1-12(2)11-22-20(23)19-18(14-5-7-15(21)8-6-14)16-10-13(3)4-9-17(16)24-19/h4-10,12H,11H2,1-3H3,(H,22,23)
InChIKeyKFTKMGPGFLWIKM-UHFFFAOYSA-N
MW341.84 g/mol
LogP5.45
Rot. Bonds4

About 3-(4-chlorophenyl)-5-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide

3-(4-chlorophenyl)-5-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide (PubChem CID 67850385) has the molecular formula C20H20ClNO2 and a molecular weight of 341.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide
PubChem CID67850385
Molecular FormulaC20H20ClNO2
Molecular Weight341.84 g/mol
Exact Mass341.12
IUPAC Name3-(4-chlorophenyl)-5-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCC(C)C)c(-c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C20H20ClNO2/c1-12(2)11-22-20(23)19-18(14-5-7-15(21)8-6-14)16-10-13(3)4-9-17(16)24-19/h4-10,12H,11H2,1-3H3,(H,22,23)
InChIKeyKFTKMGPGFLWIKM-UHFFFAOYSA-N
XLogP5.45
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.84
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide
CID 139703911
N-(2,2-dimethylpropyl)-5-methyl-3-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 67850039
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-6-methyl-4-oxochromene-2-carboxamide
CID 35574240
5-ethyl-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide
CID 19241055
N-(2-chloropropyl)-5-methyl-1-benzofuran-2-carboxamide
CID 114296664
5-chloro-N-[(2R)-2-(ethylamino)propyl]-3-methyl-1-benzofuran-2-carboxamide
CID 120652977
5-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 111441608
5-chloro-3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide
CID 35343024
6-chloro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 35574606
3,5-dimethyl-N-[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 35577669
2-amino-5-methyl-N-(2-methylpropyl)benzamide
CID 62074325
3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-2-benzofuran-1-carboxamide
CID 67797208

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-5-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide (CID 67850385) is 3-(4-chlorophenyl)-5-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-5-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-5-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)NCC(C)C)c(-c3ccc(Cl)cc3)c2c1.
What is the InChIKey of 3-(4-chlorophenyl)-5-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide?
The InChIKey is KFTKMGPGFLWIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO2/c1-12(2)11-22-20(23)19-18(14-5-7-15(21)8-6-14)16-10-13(3)4-9-17(16)24-19/h4-10,12H,11H2,1-3H3,(H,22,23).
What are the key properties of 3-(4-chlorophenyl)-5-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide?
3-(4-chlorophenyl)-5-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide has a molecular weight of 341.84 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 67850385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).