3-methyl-N-(2,4,6-trichlorophenyl)-1-benzofuran-2-carboxamide

C16H10Cl3NO2 — CID 108793598

IUPAC3-methyl-N-(2,4,6-trichlorophenyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)oc2ccccc12
InChIInChI=1S/C16H10Cl3NO2/c1-8-10-4-2-3-5-13(10)22-15(8)16(21)20-14-11(18)6-9(17)7-12(14)19/h2-7H,1H3,(H,20,21)
InChIKeyUIRVGGDHWYSATI-UHFFFAOYSA-N
MW354.62 g/mol
LogP5.95
Rot. Bonds2

About 3-methyl-N-(2,4,6-trichlorophenyl)-1-benzofuran-2-carboxamide

3-methyl-N-(2,4,6-trichlorophenyl)-1-benzofuran-2-carboxamide (PubChem CID 108793598) has the molecular formula C16H10Cl3NO2 and a molecular weight of 354.62 g/mol. Its IUPAC name is 3-methyl-N-(2,4,6-trichlorophenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2,4,6-trichlorophenyl)-1-benzofuran-2-carboxamide
PubChem CID108793598
Molecular FormulaC16H10Cl3NO2
Molecular Weight354.62 g/mol
Exact Mass352.98
IUPAC Name3-methyl-N-(2,4,6-trichlorophenyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)oc2ccccc12
InChIInChI=1S/C16H10Cl3NO2/c1-8-10-4-2-3-5-13(10)22-15(8)16(21)20-14-11(18)6-9(17)7-12(14)19/h2-7H,1H3,(H,20,21)
InChIKeyUIRVGGDHWYSATI-UHFFFAOYSA-N
XLogP5.95
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-N-(2,4,6-trichlorophenyl)-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide
CID 648777
N'-(4-chloro-2-fluorobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27163697
N-[1-(3-chlorophenyl)pyrazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 46107046
N-(2,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7770031
1-(4-chlorophenyl)-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea
CID 8746989
2-[(3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
CID 7463653
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 16546118
3-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-benzofuran-2-carboxamide
CID 26072070
N-(2-bromophenyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 27843870
3-methyl-1-benzofuran-2-carboxylic acid
CID 600591
N-(4-fluoro-3-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 9076846
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-benzofuran-2-carboxamide
CID 27160886

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2,4,6-trichlorophenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-(2,4,6-trichlorophenyl)-1-benzofuran-2-carboxamide (CID 108793598) is 3-methyl-N-(2,4,6-trichlorophenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2,4,6-trichlorophenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2,4,6-trichlorophenyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)oc2ccccc12.
What is the InChIKey of 3-methyl-N-(2,4,6-trichlorophenyl)-1-benzofuran-2-carboxamide?
The InChIKey is UIRVGGDHWYSATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl3NO2/c1-8-10-4-2-3-5-13(10)22-15(8)16(21)20-14-11(18)6-9(17)7-12(14)19/h2-7H,1H3,(H,20,21).
What are the key properties of 3-methyl-N-(2,4,6-trichlorophenyl)-1-benzofuran-2-carboxamide?
3-methyl-N-(2,4,6-trichlorophenyl)-1-benzofuran-2-carboxamide has a molecular weight of 354.62 g/mol, XLogP of 5.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2,4,6-trichlorophenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 108793598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).