N'-(5-bromo-2-chlorobenzoyl)-2-methylfuran-3-carbohydrazide

C13H10BrClN2O3 — CID 7809072

IUPACN'-(5-bromo-2-chlorobenzoyl)-2-methylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H10BrClN2O3/c1-7-9(4-5-20-7)12(18)16-17-13(19)10-6-8(14)2-3-11(10)15/h2-6H,1H3,(H,16,18)(H,17,19)
InChIKeyXWMZIPZQAOJHKA-UHFFFAOYSA-N
MW357.59 g/mol
LogP3.08
Rot. Bonds2

About N'-(5-bromo-2-chlorobenzoyl)-2-methylfuran-3-carbohydrazide

N'-(5-bromo-2-chlorobenzoyl)-2-methylfuran-3-carbohydrazide (PubChem CID 7809072) has the molecular formula C13H10BrClN2O3 and a molecular weight of 357.59 g/mol. Its IUPAC name is N'-(5-bromo-2-chlorobenzoyl)-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-(5-bromo-2-chlorobenzoyl)-2-methylfuran-3-carbohydrazide
PubChem CID7809072
Molecular FormulaC13H10BrClN2O3
Molecular Weight357.59 g/mol
Exact Mass355.96
IUPAC NameN'-(5-bromo-2-chlorobenzoyl)-2-methylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H10BrClN2O3/c1-7-9(4-5-20-7)12(18)16-17-13(19)10-6-8(14)2-3-11(10)15/h2-6H,1H3,(H,16,18)(H,17,19)
InChIKeyXWMZIPZQAOJHKA-UHFFFAOYSA-N
XLogP3.08
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.59
LogP ≤ 53.08
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'-(2,5-dichlorobenzoyl)-2-methylfuran-3-carbohydrazide
CID 965552
N'-(5-chlorofuran-2-carbonyl)-2-methylfuran-3-carbohydrazide
CID 30137081
N'-[2-(2,4-dibromophenoxy)acetyl]-2-methylfuran-3-carbohydrazide
CID 3931565
5-bromo-2-chloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 35929301
1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
CID 1011836
N-(2-bromo-5-chlorophenyl)-2-methylfuran-3-carboxamide
CID 81271612
5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
CID 3480420
2,4-dichloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 9472501
1-[(4-fluorobenzoyl)amino]-3-[(2-methylfuran-3-carbonyl)amino]urea
CID 51113394
N-[2-chloro-5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]phenyl]-4-fluorobenzenesulfonamide
CID 24536134
N-iodo-2-methylfuran-3-carboxamide
CID 170236265
5-bromo-2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 113226313

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-2-chlorobenzoyl)-2-methylfuran-3-carbohydrazide?
The IUPAC name of N'-(5-bromo-2-chlorobenzoyl)-2-methylfuran-3-carbohydrazide (CID 7809072) is N'-(5-bromo-2-chlorobenzoyl)-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for N'-(5-bromo-2-chlorobenzoyl)-2-methylfuran-3-carbohydrazide?
The canonical SMILES for N'-(5-bromo-2-chlorobenzoyl)-2-methylfuran-3-carbohydrazide is Cc1occc1C(=O)NNC(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of N'-(5-bromo-2-chlorobenzoyl)-2-methylfuran-3-carbohydrazide?
The InChIKey is XWMZIPZQAOJHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O3/c1-7-9(4-5-20-7)12(18)16-17-13(19)10-6-8(14)2-3-11(10)15/h2-6H,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-(5-bromo-2-chlorobenzoyl)-2-methylfuran-3-carbohydrazide?
N'-(5-bromo-2-chlorobenzoyl)-2-methylfuran-3-carbohydrazide has a molecular weight of 357.59 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-chlorobenzoyl)-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 7809072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).