N-(3-acetamidophenyl)-5,7-dichloro-3-methyl-1-benzofuran-2-carboxamide

C18H14Cl2N2O3 — CID 25498313

IUPACN-(3-acetamidophenyl)-5,7-dichloro-3-methyl-1-benzofuran-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2oc3c(Cl)cc(Cl)cc3c2C)c1
InChIInChI=1S/C18H14Cl2N2O3/c1-9-14-6-11(19)7-15(20)17(14)25-16(9)18(24)22-13-5-3-4-12(8-13)21-10(2)23/h3-8H,1-2H3,(H,21,23)(H,22,24)
InChIKeyCENMGWBLQVGULI-UHFFFAOYSA-N
MW377.23 g/mol
LogP5.26
Rot. Bonds3

About N-(3-acetamidophenyl)-5,7-dichloro-3-methyl-1-benzofuran-2-carboxamide

N-(3-acetamidophenyl)-5,7-dichloro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 25498313) has the molecular formula C18H14Cl2N2O3 and a molecular weight of 377.23 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-5,7-dichloro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-5,7-dichloro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID25498313
Molecular FormulaC18H14Cl2N2O3
Molecular Weight377.23 g/mol
Exact Mass376.04
IUPAC NameN-(3-acetamidophenyl)-5,7-dichloro-3-methyl-1-benzofuran-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2oc3c(Cl)cc(Cl)cc3c2C)c1
InChIInChI=1S/C18H14Cl2N2O3/c1-9-14-6-11(19)7-15(20)17(14)25-16(9)18(24)22-13-5-3-4-12(8-13)21-10(2)23/h3-8H,1-2H3,(H,21,23)(H,22,24)
InChIKeyCENMGWBLQVGULI-UHFFFAOYSA-N
XLogP5.26
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.23
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 7899827
N-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 7945365
(4-chlorophenyl)-(5,7-dichloro-3-methyl-1-benzofuran-2-yl)methanone
CID 2797713
N-(3-acetamidophenyl)-5-chloro-2-methoxy-3-methylbenzamide
CID 110762997
N-(4-acetamidophenyl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide
CID 27104970
5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7992434
(5,7-dichloro-3-methyl-1-benzofuran-2-yl)-(4-fluorophenyl)methanone
CID 2768992
3-methyl-N-(2,4,6-trichlorophenyl)-1-benzofuran-2-carboxamide
CID 108793598
7-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 55539961
5-chloro-3-methyl-N-(3-pyrrolidin-1-ylphenyl)-1-benzofuran-2-carboxamide
CID 55812175
N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012
N-(3-acetamidophenyl)-5-chloro-3-methyl-1H-indole-2-carboxamide
CID 113204770

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-5,7-dichloro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-5,7-dichloro-3-methyl-1-benzofuran-2-carboxamide (CID 25498313) is N-(3-acetamidophenyl)-5,7-dichloro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-5,7-dichloro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-5,7-dichloro-3-methyl-1-benzofuran-2-carboxamide is CC(=O)Nc1cccc(NC(=O)c2oc3c(Cl)cc(Cl)cc3c2C)c1.
What is the InChIKey of N-(3-acetamidophenyl)-5,7-dichloro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is CENMGWBLQVGULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3/c1-9-14-6-11(19)7-15(20)17(14)25-16(9)18(24)22-13-5-3-4-12(8-13)21-10(2)23/h3-8H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-acetamidophenyl)-5,7-dichloro-3-methyl-1-benzofuran-2-carboxamide?
N-(3-acetamidophenyl)-5,7-dichloro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 377.23 g/mol, XLogP of 5.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-5,7-dichloro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 25498313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).