2-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylpropanamide

C20H22ClNO2 — CID 134099930

IUPAC2-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylpropanamide
SMILESCC1(C)Cc2cccc(NC(=O)C(C)(C)c3ccc(Cl)cc3)c2O1
InChIInChI=1S/C20H22ClNO2/c1-19(2)12-13-6-5-7-16(17(13)24-19)22-18(23)20(3,4)14-8-10-15(21)11-9-14/h5-11H,12H2,1-4H3,(H,22,23)
InChIKeyVFABQQVRSVQKEC-UHFFFAOYSA-N
MW343.85 g/mol
LogP4.97
Rot. Bonds3

About 2-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylpropanamide

2-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylpropanamide (PubChem CID 134099930) has the molecular formula C20H22ClNO2 and a molecular weight of 343.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylpropanamide
PubChem CID134099930
Molecular FormulaC20H22ClNO2
Molecular Weight343.85 g/mol
Exact Mass343.13
IUPAC Name2-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylpropanamide
SMILESCC1(C)Cc2cccc(NC(=O)C(C)(C)c3ccc(Cl)cc3)c2O1
InChIInChI=1S/C20H22ClNO2/c1-19(2)12-13-6-5-7-16(17(13)24-19)22-18(23)20(3,4)14-8-10-15(21)11-9-14/h5-11H,12H2,1-4H3,(H,22,23)
InChIKeyVFABQQVRSVQKEC-UHFFFAOYSA-N
XLogP4.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylpropanamide (CID 134099930) is 2-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylpropanamide is CC1(C)Cc2cccc(NC(=O)C(C)(C)c3ccc(Cl)cc3)c2O1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylpropanamide?
The InChIKey is VFABQQVRSVQKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO2/c1-19(2)12-13-6-5-7-16(17(13)24-19)22-18(23)20(3,4)14-8-10-15(21)11-9-14/h5-11H,12H2,1-4H3,(H,22,23).
What are the key properties of 2-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylpropanamide?
2-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylpropanamide has a molecular weight of 343.85 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylpropanamide is sourced from PubChem (CID 134099930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).