7-bromo-N-methyl-N-[(2-methylphenyl)methyl]-1-benzofuran-2-carboxamide

C18H16BrNO2 — CID 39717319

IUPAC7-bromo-N-methyl-N-[(2-methylphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C18H16BrNO2/c1-12-6-3-4-7-14(12)11-20(2)18(21)16-10-13-8-5-9-15(19)17(13)22-16/h3-10H,11H2,1-2H3
InChIKeyOEGBXKFYHFKLMU-UHFFFAOYSA-N
MW358.24 g/mol
LogP4.78
Rot. Bonds3

About 7-bromo-N-methyl-N-[(2-methylphenyl)methyl]-1-benzofuran-2-carboxamide

7-bromo-N-methyl-N-[(2-methylphenyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 39717319) has the molecular formula C18H16BrNO2 and a molecular weight of 358.24 g/mol. Its IUPAC name is 7-bromo-N-methyl-N-[(2-methylphenyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-methyl-N-[(2-methylphenyl)methyl]-1-benzofuran-2-carboxamide
PubChem CID39717319
Molecular FormulaC18H16BrNO2
Molecular Weight358.24 g/mol
Exact Mass357.04
IUPAC Name7-bromo-N-methyl-N-[(2-methylphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C18H16BrNO2/c1-12-6-3-4-7-14(12)11-20(2)18(21)16-10-13-8-5-9-15(19)17(13)22-16/h3-10H,11H2,1-2H3
InChIKeyOEGBXKFYHFKLMU-UHFFFAOYSA-N
XLogP4.78
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-bromo-N-methyl-N-[(2-methylphenyl)methyl]-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-[(4-chlorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 55684638
7-bromo-N-(2-hydroxyethyl)-N-methyl-1-benzofuran-2-carboxamide
CID 110890190
5-bromo-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 60631156
N-(2-anilino-2-oxoethyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide
CID 46460862
N-(3-amino-2,2-dimethylpropyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide
CID 79652409
7-bromo-N-ethyl-N-phenyl-1-benzofuran-2-carboxamide
CID 38925942
N,N-dibenzyl-7-methyl-1-benzofuran-2-carboxamide
CID 100795337
N-(azetidin-3-yl)-7-bromo-N-ethyl-1-benzofuran-2-carboxamide
CID 66181896
3-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60636386
2-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 62073809
1-(7-bromo-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 105078052
N,2,4-trimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028537

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-methyl-N-[(2-methylphenyl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-methyl-N-[(2-methylphenyl)methyl]-1-benzofuran-2-carboxamide (CID 39717319) is 7-bromo-N-methyl-N-[(2-methylphenyl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-methyl-N-[(2-methylphenyl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-methyl-N-[(2-methylphenyl)methyl]-1-benzofuran-2-carboxamide is Cc1ccccc1CN(C)C(=O)c1cc2cccc(Br)c2o1.
What is the InChIKey of 7-bromo-N-methyl-N-[(2-methylphenyl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is OEGBXKFYHFKLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO2/c1-12-6-3-4-7-14(12)11-20(2)18(21)16-10-13-8-5-9-15(19)17(13)22-16/h3-10H,11H2,1-2H3.
What are the key properties of 7-bromo-N-methyl-N-[(2-methylphenyl)methyl]-1-benzofuran-2-carboxamide?
7-bromo-N-methyl-N-[(2-methylphenyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 358.24 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-methyl-N-[(2-methylphenyl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 39717319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).