N-(3-chloro-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

C18H16ClNO3 — CID 2679149

IUPACN-(3-chloro-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)Nc3ccc(C)c(Cl)c3)c(C)c2c1
InChIInChI=1S/C18H16ClNO3/c1-10-4-5-12(8-15(10)19)20-18(21)17-11(2)14-9-13(22-3)6-7-16(14)23-17/h4-9H,1-3H3,(H,20,21)
InChIKeyWDVYEUZYBPVCAV-UHFFFAOYSA-N
MW329.78 g/mol
LogP4.96
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

N-(3-chloro-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 2679149) has the molecular formula C18H16ClNO3 and a molecular weight of 329.78 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID2679149
Molecular FormulaC18H16ClNO3
Molecular Weight329.78 g/mol
Exact Mass329.08
IUPAC NameN-(3-chloro-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)Nc3ccc(C)c(Cl)c3)c(C)c2c1
InChIInChI=1S/C18H16ClNO3/c1-10-4-5-12(8-15(10)19)20-18(21)17-11(2)14-9-13(22-3)6-7-16(14)23-17/h4-9H,1-3H3,(H,20,21)
InChIKeyWDVYEUZYBPVCAV-UHFFFAOYSA-N
XLogP4.96
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7930823
N-(3,5-dimethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7959819
5-methoxy-3-methyl-N-[4-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 8700218
5-methoxy-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide
CID 55711749
5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7992434
N-[4-(2-hydroxyethyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 110922986
N-(2,3-dimethylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2679062
N-[3-(ethylcarbamoyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 17473266
N-(4-chlorophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 9073189
N-(3-acetamido-2-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 134019144
N-(2-hydroxy-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 17473856
5-methoxy-3-methyl-N'-phenyl-1-benzofuran-2-carbohydrazide
CID 78774610

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (CID 2679149) is N-(3-chloro-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)Nc3ccc(C)c(Cl)c3)c(C)c2c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is WDVYEUZYBPVCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3/c1-10-4-5-12(8-15(10)19)20-18(21)17-11(2)14-9-13(22-3)6-7-16(14)23-17/h4-9H,1-3H3,(H,20,21).
What are the key properties of N-(3-chloro-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
N-(3-chloro-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 329.78 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2679149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).