7-bromo-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide

C17H14BrNO2 — CID 38885789

IUPAC7-bromo-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc3cccc(Br)c3o2)c1C
InChIInChI=1S/C17H14BrNO2/c1-10-5-3-8-14(11(10)2)19-17(20)15-9-12-6-4-7-13(18)16(12)21-15/h3-9H,1-2H3,(H,19,20)
InChIKeyKGNAIECQVXGEQN-UHFFFAOYSA-N
MW344.21 g/mol
LogP5.06
Rot. Bonds2

About 7-bromo-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide

7-bromo-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 38885789) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is 7-bromo-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide
PubChem CID38885789
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name7-bromo-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc3cccc(Br)c3o2)c1C
InChIInChI=1S/C17H14BrNO2/c1-10-5-3-8-14(11(10)2)19-17(20)15-9-12-6-4-7-13(18)16(12)21-15/h3-9H,1-2H3,(H,19,20)
InChIKeyKGNAIECQVXGEQN-UHFFFAOYSA-N
XLogP5.06
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.21
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-bromo-N-(2,3-dimethylphenyl)-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

7-bromo-N-(2-methylsulfanylphenyl)-1-benzofuran-2-carboxamide
CID 46450792
N-(2,3-dimethylphenyl)-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888863
7-bromo-N-(2-methyl-6-propan-2-ylphenyl)-1-benzofuran-2-carboxamide
CID 38899371
methyl 3-[(7-bromo-1-benzofuran-2-carbonyl)amino]-4-methylbenzoate
CID 38908619
N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide
CID 39705718
7-bromo-N-(2,5-difluorophenyl)-1-benzofuran-2-carboxamide
CID 38897845
N-(2-fluorophenyl)-7-methyl-1-benzofuran-2-carboxamide
CID 48980668
5-amino-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 61090937
7-bromo-N-(4-methylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 38912077
methyl 3-[(7-bromo-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate
CID 38928922
N-(2-ethylphenyl)-7-methyl-1-benzofuran-2-carboxamide
CID 48981916
7-bromo-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide
CID 47289802

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide (CID 38885789) is 7-bromo-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide is Cc1cccc(NC(=O)c2cc3cccc(Br)c3o2)c1C.
What is the InChIKey of 7-bromo-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is KGNAIECQVXGEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-10-5-3-8-14(11(10)2)19-17(20)15-9-12-6-4-7-13(18)16(12)21-15/h3-9H,1-2H3,(H,19,20).
What are the key properties of 7-bromo-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide?
7-bromo-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 344.21 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 38885789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).