N'-(2-bromobenzoyl)-5-chloro-1-benzofuran-2-carbohydrazide

C16H10BrClN2O3 — CID 9037806

IUPACN'-(2-bromobenzoyl)-5-chloro-1-benzofuran-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1Br)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H10BrClN2O3/c17-12-4-2-1-3-11(12)15(21)19-20-16(22)14-8-9-7-10(18)5-6-13(9)23-14/h1-8H,(H,19,21)(H,20,22)
InChIKeyFGEHMNHHNQYHDA-UHFFFAOYSA-N
MW393.62 g/mol
LogP3.92
Rot. Bonds2

About N'-(2-bromobenzoyl)-5-chloro-1-benzofuran-2-carbohydrazide

N'-(2-bromobenzoyl)-5-chloro-1-benzofuran-2-carbohydrazide (PubChem CID 9037806) has the molecular formula C16H10BrClN2O3 and a molecular weight of 393.62 g/mol. Its IUPAC name is N'-(2-bromobenzoyl)-5-chloro-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-bromobenzoyl)-5-chloro-1-benzofuran-2-carbohydrazide
PubChem CID9037806
Molecular FormulaC16H10BrClN2O3
Molecular Weight393.62 g/mol
Exact Mass391.96
IUPAC NameN'-(2-bromobenzoyl)-5-chloro-1-benzofuran-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1Br)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H10BrClN2O3/c17-12-4-2-1-3-11(12)15(21)19-20-16(22)14-8-9-7-10(18)5-6-13(9)23-14/h1-8H,(H,19,21)(H,20,22)
InChIKeyFGEHMNHHNQYHDA-UHFFFAOYSA-N
XLogP3.92
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.62
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-bromobenzoyl)-2,5-dichlorobenzohydrazide
CID 7536155
5-chloro-N-(3,5-dichlorophenyl)-1-benzofuran-2-carboxamide
CID 19240955
5-chloro-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-1-benzofuran-2-carbohydrazide
CID 18876090
5-chloro-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 9138991
5-chloro-N'-(cyclohexanecarbonyl)-1-benzofuran-2-carbohydrazide
CID 9327354
5-chloro-N-(2,6-difluorophenyl)-1-benzofuran-2-carboxamide
CID 51217226
(2-bromo-5-methylphenyl)-(5-chloro-1-benzofuran-2-yl)methanone
CID 115808561
2-(2-bromophenyl)sulfanyl-1-(5-chloro-1-benzofuran-2-yl)ethanone
CID 115574602
N'-(5-chloro-1-benzofuran-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 60616088
N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide
CID 19240925
5-chloro-1-benzofuran-2-carboxylate
CID 6956015
2-bromo-N-[[(2,4-dichlorobenzoyl)amino]carbamothioyl]benzamide
CID 4636694

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromobenzoyl)-5-chloro-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-(2-bromobenzoyl)-5-chloro-1-benzofuran-2-carbohydrazide (CID 9037806) is N'-(2-bromobenzoyl)-5-chloro-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-(2-bromobenzoyl)-5-chloro-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-(2-bromobenzoyl)-5-chloro-1-benzofuran-2-carbohydrazide is O=C(NNC(=O)c1ccccc1Br)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of N'-(2-bromobenzoyl)-5-chloro-1-benzofuran-2-carbohydrazide?
The InChIKey is FGEHMNHHNQYHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClN2O3/c17-12-4-2-1-3-11(12)15(21)19-20-16(22)14-8-9-7-10(18)5-6-13(9)23-14/h1-8H,(H,19,21)(H,20,22).
What are the key properties of N'-(2-bromobenzoyl)-5-chloro-1-benzofuran-2-carbohydrazide?
N'-(2-bromobenzoyl)-5-chloro-1-benzofuran-2-carbohydrazide has a molecular weight of 393.62 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromobenzoyl)-5-chloro-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 9037806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).