N-(2-anilino-2-oxoethyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide

C18H15BrN2O3 — CID 46460862

IUPACN-(2-anilino-2-oxoethyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C18H15BrN2O3/c1-21(11-16(22)20-13-7-3-2-4-8-13)18(23)15-10-12-6-5-9-14(19)17(12)24-15/h2-10H,11H2,1H3,(H,20,22)
InChIKeyVVHSFHBNVLJLSB-UHFFFAOYSA-N
MW387.23 g/mol
LogP3.91
Rot. Bonds4

About N-(2-anilino-2-oxoethyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide

N-(2-anilino-2-oxoethyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide (PubChem CID 46460862) has the molecular formula C18H15BrN2O3 and a molecular weight of 387.23 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide
PubChem CID46460862
Molecular FormulaC18H15BrN2O3
Molecular Weight387.23 g/mol
Exact Mass386.03
IUPAC NameN-(2-anilino-2-oxoethyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C18H15BrN2O3/c1-21(11-16(22)20-13-7-3-2-4-8-13)18(23)15-10-12-6-5-9-14(19)17(12)24-15/h2-10H,11H2,1H3,(H,20,22)
InChIKeyVVHSFHBNVLJLSB-UHFFFAOYSA-N
XLogP3.91
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1-benzofuran-2-carboxamide
CID 39712377
7-bromo-N-(2-hydroxyethyl)-N-methyl-1-benzofuran-2-carboxamide
CID 110890190
7-bromo-N-[(4-chlorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 55684638
N-(3-amino-2,2-dimethylpropyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide
CID 79652409
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 78867367
N-benzyl-7-bromo-1-benzofuran-2-carboxamide
CID 38885383
N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 35553197
N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide
CID 39705718
5-bromo-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 51554035
N-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide
CID 55637665
3-amino-N-(2-anilino-2-oxoethyl)-N-methylbenzamide
CID 60944613
N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-4-carboxamide
CID 103752363

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide (CID 46460862) is N-(2-anilino-2-oxoethyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide is CN(CC(=O)Nc1ccccc1)C(=O)c1cc2cccc(Br)c2o1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide?
The InChIKey is VVHSFHBNVLJLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O3/c1-21(11-16(22)20-13-7-3-2-4-8-13)18(23)15-10-12-6-5-9-14(19)17(12)24-15/h2-10H,11H2,1H3,(H,20,22).
What are the key properties of N-(2-anilino-2-oxoethyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide?
N-(2-anilino-2-oxoethyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide has a molecular weight of 387.23 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46460862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).