N-(2,5-dichlorophenyl)-6-methyl-1-benzofuran-2-carboxamide

C16H11Cl2NO2 — CID 110476452

IUPACN-(2,5-dichlorophenyl)-6-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2cc(C(=O)Nc3cc(Cl)ccc3Cl)oc2c1
InChIInChI=1S/C16H11Cl2NO2/c1-9-2-3-10-7-15(21-14(10)6-9)16(20)19-13-8-11(17)4-5-12(13)18/h2-8H,1H3,(H,19,20)
InChIKeyVYWJHDKOJBYASI-UHFFFAOYSA-N
MW320.18 g/mol
LogP5.30
Rot. Bonds2

About N-(2,5-dichlorophenyl)-6-methyl-1-benzofuran-2-carboxamide

N-(2,5-dichlorophenyl)-6-methyl-1-benzofuran-2-carboxamide (PubChem CID 110476452) has the molecular formula C16H11Cl2NO2 and a molecular weight of 320.18 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-6-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-6-methyl-1-benzofuran-2-carboxamide
PubChem CID110476452
Molecular FormulaC16H11Cl2NO2
Molecular Weight320.18 g/mol
Exact Mass319.02
IUPAC NameN-(2,5-dichlorophenyl)-6-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2cc(C(=O)Nc3cc(Cl)ccc3Cl)oc2c1
InChIInChI=1S/C16H11Cl2NO2/c1-9-2-3-10-7-15(21-14(10)6-9)16(20)19-13-8-11(17)4-5-12(13)18/h2-8H,1H3,(H,19,20)
InChIKeyVYWJHDKOJBYASI-UHFFFAOYSA-N
XLogP5.30
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.18
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dichlorophenyl)-6-methyl-1-benzofuran-2-carboxamide
CID 110476557
5-chloro-N-(4-chloro-2-methylphenyl)-1-benzofuran-2-carboxamide
CID 9138973
N-[2-(3-chlorophenyl)ethyl]-6-methyl-1-benzofuran-2-carboxamide
CID 112529537
N-(2-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide
CID 24697022
N-(3-acetylphenyl)-6-methyl-1-benzofuran-2-carboxamide
CID 84577090
1-(6-methyl-1-benzofuran-2-yl)ethanone
CID 159473013
N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 2670112
N-(1H-imidazol-2-yl)-6-methyl-1-benzofuran-2-carboxamide
CID 112524336
N'-(2,5-dichlorophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 108500949
N-(3,5-dichloro-2-hydroxyphenyl)-1-benzofuran-2-carboxamide
CID 103891115
5-chloro-N-(2-methyl-5-methylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 26812074
N-(4-bromo-2-methylphenyl)-5-chloro-1-benzofuran-2-carboxamide
CID 9159182

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-6-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-6-methyl-1-benzofuran-2-carboxamide (CID 110476452) is N-(2,5-dichlorophenyl)-6-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-6-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-6-methyl-1-benzofuran-2-carboxamide is Cc1ccc2cc(C(=O)Nc3cc(Cl)ccc3Cl)oc2c1.
What is the InChIKey of N-(2,5-dichlorophenyl)-6-methyl-1-benzofuran-2-carboxamide?
The InChIKey is VYWJHDKOJBYASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO2/c1-9-2-3-10-7-15(21-14(10)6-9)16(20)19-13-8-11(17)4-5-12(13)18/h2-8H,1H3,(H,19,20).
What are the key properties of N-(2,5-dichlorophenyl)-6-methyl-1-benzofuran-2-carboxamide?
N-(2,5-dichlorophenyl)-6-methyl-1-benzofuran-2-carboxamide has a molecular weight of 320.18 g/mol, XLogP of 5.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-6-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 110476452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).