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

C17H16ClNO2 — CID 2738406

IUPACN-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide
SMILESCC1(C)Cc2cccc(C(=O)Nc3ccc(Cl)cc3)c2O1
InChIInChI=1S/C17H16ClNO2/c1-17(2)10-11-4-3-5-14(15(11)21-17)16(20)19-13-8-6-12(18)7-9-13/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyFVTWMXVJTAFAHK-UHFFFAOYSA-N
MW301.77 g/mol
LogP4.31
Rot. Bonds2

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

N-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide (PubChem CID 2738406) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide
PubChem CID2738406
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC NameN-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide
SMILESCC1(C)Cc2cccc(C(=O)Nc3ccc(Cl)cc3)c2O1
InChIInChI=1S/C17H16ClNO2/c1-17(2)10-11-4-3-5-14(15(11)21-17)16(20)19-13-8-6-12(18)7-9-13/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyFVTWMXVJTAFAHK-UHFFFAOYSA-N
XLogP4.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide (CID 2738406) is N-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide is CC1(C)Cc2cccc(C(=O)Nc3ccc(Cl)cc3)c2O1.
What is the InChIKey of N-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide?
The InChIKey is FVTWMXVJTAFAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-17(2)10-11-4-3-5-14(15(11)21-17)16(20)19-13-8-6-12(18)7-9-13/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of N-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide?
N-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide has a molecular weight of 301.77 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide is sourced from PubChem (CID 2738406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).