7-bromo-6-hydroxy-4-methoxy-N-(4-methylphenyl)-1-benzofuran-5-carboxamide

C17H14BrNO4 — CID 56926230

IUPAC7-bromo-6-hydroxy-4-methoxy-N-(4-methylphenyl)-1-benzofuran-5-carboxamide
SMILESCOc1c(C(=O)Nc2ccc(C)cc2)c(O)c(Br)c2occc12
InChIInChI=1S/C17H14BrNO4/c1-9-3-5-10(6-4-9)19-17(21)12-14(20)13(18)16-11(7-8-23-16)15(12)22-2/h3-8,20H,1-2H3,(H,19,21)
InChIKeyIQLCCFPTRTTZRW-UHFFFAOYSA-N
MW376.21 g/mol
LogP4.47
Rot. Bonds3

About 7-bromo-6-hydroxy-4-methoxy-N-(4-methylphenyl)-1-benzofuran-5-carboxamide

7-bromo-6-hydroxy-4-methoxy-N-(4-methylphenyl)-1-benzofuran-5-carboxamide (PubChem CID 56926230) has the molecular formula C17H14BrNO4 and a molecular weight of 376.21 g/mol. Its IUPAC name is 7-bromo-6-hydroxy-4-methoxy-N-(4-methylphenyl)-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name7-bromo-6-hydroxy-4-methoxy-N-(4-methylphenyl)-1-benzofuran-5-carboxamide
PubChem CID56926230
Molecular FormulaC17H14BrNO4
Molecular Weight376.21 g/mol
Exact Mass375.01
IUPAC Name7-bromo-6-hydroxy-4-methoxy-N-(4-methylphenyl)-1-benzofuran-5-carboxamide
SMILESCOc1c(C(=O)Nc2ccc(C)cc2)c(O)c(Br)c2occc12
InChIInChI=1S/C17H14BrNO4/c1-9-3-5-10(6-4-9)19-17(21)12-14(20)13(18)16-11(7-8-23-16)15(12)22-2/h3-8,20H,1-2H3,(H,19,21)
InChIKeyIQLCCFPTRTTZRW-UHFFFAOYSA-N
XLogP4.47
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-1,4-dimethoxy-N-phenylnaphthalene-2-carboxamide
CID 163283697
N-benzyl-6-hydroxy-4,7-dimethoxy-1-benzofuran-5-carboxamide
CID 13190742
methyl N-[4-[(2-bromofuran-3-carbonyl)amino]phenyl]carbamate
CID 106853285
1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-methylurea
CID 12672416
N-(4-methoxyphenyl)-2-[(4-methylphenoxy)methyl]furan-3-carboxamide
CID 6492523
N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 770330
3-(4-bromophenyl)-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805521
2,4,5-trimethyl-N-(4-methylphenyl)furan-3-carboxamide
CID 26719687
1-N,5-N,2,4,6-pentamethyl-3-N-(4-methylphenyl)benzene-1,3,5-tricarboxamide
CID 146600216
N-(4-bromophenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391151
2,6-dichloro-N-(4-methylphenyl)benzamide
CID 5152296
methyl 4-[(3,5-dibromo-2,6-dihydroxybenzoyl)amino]benzoate
CID 10160753

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-hydroxy-4-methoxy-N-(4-methylphenyl)-1-benzofuran-5-carboxamide?
The IUPAC name of 7-bromo-6-hydroxy-4-methoxy-N-(4-methylphenyl)-1-benzofuran-5-carboxamide (CID 56926230) is 7-bromo-6-hydroxy-4-methoxy-N-(4-methylphenyl)-1-benzofuran-5-carboxamide.
What is the SMILES notation for 7-bromo-6-hydroxy-4-methoxy-N-(4-methylphenyl)-1-benzofuran-5-carboxamide?
The canonical SMILES for 7-bromo-6-hydroxy-4-methoxy-N-(4-methylphenyl)-1-benzofuran-5-carboxamide is COc1c(C(=O)Nc2ccc(C)cc2)c(O)c(Br)c2occc12.
What is the InChIKey of 7-bromo-6-hydroxy-4-methoxy-N-(4-methylphenyl)-1-benzofuran-5-carboxamide?
The InChIKey is IQLCCFPTRTTZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO4/c1-9-3-5-10(6-4-9)19-17(21)12-14(20)13(18)16-11(7-8-23-16)15(12)22-2/h3-8,20H,1-2H3,(H,19,21).
What are the key properties of 7-bromo-6-hydroxy-4-methoxy-N-(4-methylphenyl)-1-benzofuran-5-carboxamide?
7-bromo-6-hydroxy-4-methoxy-N-(4-methylphenyl)-1-benzofuran-5-carboxamide has a molecular weight of 376.21 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-hydroxy-4-methoxy-N-(4-methylphenyl)-1-benzofuran-5-carboxamide is sourced from PubChem (CID 56926230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).