7-bromo-N-[(4-chlorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide

C17H13BrClNO2 — CID 55684638

IUPAC7-bromo-N-[(4-chlorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C17H13BrClNO2/c1-20(10-11-5-7-13(19)8-6-11)17(21)15-9-12-3-2-4-14(18)16(12)22-15/h2-9H,10H2,1H3
InChIKeySPGOPJCKJXIXMF-UHFFFAOYSA-N
MW378.65 g/mol
LogP5.12
Rot. Bonds3

About 7-bromo-N-[(4-chlorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide

7-bromo-N-[(4-chlorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide (PubChem CID 55684638) has the molecular formula C17H13BrClNO2 and a molecular weight of 378.65 g/mol. Its IUPAC name is 7-bromo-N-[(4-chlorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-[(4-chlorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
PubChem CID55684638
Molecular FormulaC17H13BrClNO2
Molecular Weight378.65 g/mol
Exact Mass376.98
IUPAC Name7-bromo-N-[(4-chlorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C17H13BrClNO2/c1-20(10-11-5-7-13(19)8-6-11)17(21)15-9-12-3-2-4-14(18)16(12)22-15/h2-9H,10H2,1H3
InChIKeySPGOPJCKJXIXMF-UHFFFAOYSA-N
XLogP5.12
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.65
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-N-(2-hydroxyethyl)-N-methyl-1-benzofuran-2-carboxamide
CID 110890190
7-bromo-N-methyl-N-[(2-methylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 39717319
1-(7-bromo-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanone
CID 105078047
N-(3-amino-2,2-dimethylpropyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide
CID 79652409
7-methoxy-N-[(4-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 124505008
N-(2-anilino-2-oxoethyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide
CID 46460862
7-bromo-N-ethyl-N-phenyl-1-benzofuran-2-carboxamide
CID 38925942
N-(azetidin-3-yl)-7-bromo-N-ethyl-1-benzofuran-2-carboxamide
CID 66181896
(7-bromo-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
CID 63547938
7-bromo-N-[(5-chlorothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 46460415
7-bromo-1-benzofuran-2-carboxamide
CID 47331810
5-[(4-chlorophenyl)methyl-methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120820663

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[(4-chlorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-[(4-chlorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide (CID 55684638) is 7-bromo-N-[(4-chlorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-[(4-chlorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-[(4-chlorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide is CN(Cc1ccc(Cl)cc1)C(=O)c1cc2cccc(Br)c2o1.
What is the InChIKey of 7-bromo-N-[(4-chlorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide?
The InChIKey is SPGOPJCKJXIXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClNO2/c1-20(10-11-5-7-13(19)8-6-11)17(21)15-9-12-3-2-4-14(18)16(12)22-15/h2-9H,10H2,1H3.
What are the key properties of 7-bromo-N-[(4-chlorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide?
7-bromo-N-[(4-chlorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide has a molecular weight of 378.65 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[(4-chlorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55684638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).