5-bromo-N'-(2-hydroxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide

C17H13BrN2O4 — CID 18109111

IUPAC5-bromo-N'-(2-hydroxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccccc2O)oc2ccc(Br)cc12
InChIInChI=1S/C17H13BrN2O4/c1-9-12-8-10(18)6-7-14(12)24-15(9)17(23)20-19-16(22)11-4-2-3-5-13(11)21/h2-8,21H,1H3,(H,19,22)(H,20,23)
InChIKeyLKDSQOFTURTPHL-UHFFFAOYSA-N
MW389.21 g/mol
LogP3.28
Rot. Bonds2

About 5-bromo-N'-(2-hydroxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide

5-bromo-N'-(2-hydroxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide (PubChem CID 18109111) has the molecular formula C17H13BrN2O4 and a molecular weight of 389.21 g/mol. Its IUPAC name is 5-bromo-N'-(2-hydroxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N'-(2-hydroxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
PubChem CID18109111
Molecular FormulaC17H13BrN2O4
Molecular Weight389.21 g/mol
Exact Mass388.01
IUPAC Name5-bromo-N'-(2-hydroxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccccc2O)oc2ccc(Br)cc12
InChIInChI=1S/C17H13BrN2O4/c1-9-12-8-10(18)6-7-14(12)24-15(9)17(23)20-19-16(22)11-4-2-3-5-13(11)21/h2-8,21H,1H3,(H,19,22)(H,20,23)
InChIKeyLKDSQOFTURTPHL-UHFFFAOYSA-N
XLogP3.28
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.21
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-(2-hydroxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of 5-bromo-N'-(2-hydroxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide (CID 18109111) is 5-bromo-N'-(2-hydroxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 5-bromo-N'-(2-hydroxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 5-bromo-N'-(2-hydroxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)c2ccccc2O)oc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-N'-(2-hydroxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide?
The InChIKey is LKDSQOFTURTPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O4/c1-9-12-8-10(18)6-7-14(12)24-15(9)17(23)20-19-16(22)11-4-2-3-5-13(11)21/h2-8,21H,1H3,(H,19,22)(H,20,23).
What are the key properties of 5-bromo-N'-(2-hydroxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide?
5-bromo-N'-(2-hydroxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide has a molecular weight of 389.21 g/mol, XLogP of 3.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-(2-hydroxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 18109111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).