N'-(2-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide

C14H13BrN2O3 — CID 2715708

IUPACN'-(2-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccccc2Br)c(C)o1
InChIInChI=1S/C14H13BrN2O3/c1-8-7-11(9(2)20-8)14(19)17-16-13(18)10-5-3-4-6-12(10)15/h3-7H,1-2H3,(H,16,18)(H,17,19)
InChIKeyZNSYMXOULCKLNT-UHFFFAOYSA-N
MW337.17 g/mol
LogP2.73
Rot. Bonds2

About N'-(2-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide

N'-(2-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 2715708) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is N'-(2-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
PubChem CID2715708
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC NameN'-(2-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccccc2Br)c(C)o1
InChIInChI=1S/C14H13BrN2O3/c1-8-7-11(9(2)20-8)14(19)17-16-13(18)10-5-3-4-6-12(10)15/h3-7H,1-2H3,(H,16,18)(H,17,19)
InChIKeyZNSYMXOULCKLNT-UHFFFAOYSA-N
XLogP2.73
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(2-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide
CID 7808967
N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
CID 4808565
N'-(4-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715709
1-[(2-bromobenzoyl)amino]-3-methylurea
CID 47140225
1-[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]-3-phenylurea
CID 34999919
1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-(1,2-diphenylethyl)urea
CID 134006560
N'-(2,5-dimethylfuran-3-carbonyl)quinoline-5-carbohydrazide
CID 26021205
N'-[2-[(4-chlorophenyl)methoxy]benzoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 7976394
N'-(3,5-difluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 4808606
N'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide
CID 47102396
N'-(2,5-dimethylfuran-3-carbonyl)-1H-indazole-3-carbohydrazide
CID 4789694
N'-(2,5-dimethylfuran-3-carbonyl)-4-phenylpiperazine-1-carbohydrazide
CID 18552343

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-(2-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide (CID 2715708) is N'-(2-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-(2-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-(2-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2ccccc2Br)c(C)o1.
What is the InChIKey of N'-(2-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is ZNSYMXOULCKLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c1-8-7-11(9(2)20-8)14(19)17-16-13(18)10-5-3-4-6-12(10)15/h3-7H,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-(2-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide?
N'-(2-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 337.17 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 2715708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).