N'-(4-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide

C14H13BrN2O3 — CID 2715709

IUPACN'-(4-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccc(Br)cc2)c(C)o1
InChIInChI=1S/C14H13BrN2O3/c1-8-7-12(9(2)20-8)14(19)17-16-13(18)10-3-5-11(15)6-4-10/h3-7H,1-2H3,(H,16,18)(H,17,19)
InChIKeyVUNWJXFEXKJEOA-UHFFFAOYSA-N
MW337.17 g/mol
LogP2.73
Rot. Bonds2

About N'-(4-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide

N'-(4-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 2715709) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is N'-(4-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
PubChem CID2715709
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC NameN'-(4-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccc(Br)cc2)c(C)o1
InChIInChI=1S/C14H13BrN2O3/c1-8-7-12(9(2)20-8)14(19)17-16-13(18)10-3-5-11(15)6-4-10/h3-7H,1-2H3,(H,16,18)(H,17,19)
InChIKeyVUNWJXFEXKJEOA-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'}

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Related Compounds

N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
CID 4808565
[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]urea
CID 26028190
N'-(2-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715708
1-[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]-3-phenylurea
CID 34999919
2,5-dimethyl-N'-[4-(methylsulfonylmethyl)benzoyl]furan-3-carbohydrazide
CID 9468106
N'-[4-(difluoromethylsulfonyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 8502793
4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 26895521
N'-[4-(4-bromophenoxy)butanoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9468202
N'-(3,5-difluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 4808606
2,5-dimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide
CID 7808967
N-[(2R)-butan-2-yl]-4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 9468147
N-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]acetamide
CID 7808968

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-(4-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide (CID 2715709) is N'-(4-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-(4-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-(4-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2ccc(Br)cc2)c(C)o1.
What is the InChIKey of N'-(4-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is VUNWJXFEXKJEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c1-8-7-12(9(2)20-8)14(19)17-16-13(18)10-3-5-11(15)6-4-10/h3-7H,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-(4-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide?
N'-(4-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'-(4-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 2715709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).