5-bromo-N'-[2-(3,4-dimethylphenoxy)propanoyl]furan-2-carbohydrazide

C16H17BrN2O4 — CID 17169354

IUPAC5-bromo-N'-[2-(3,4-dimethylphenoxy)propanoyl]furan-2-carbohydrazide
SMILESCc1ccc(OC(C)C(=O)NNC(=O)c2ccc(Br)o2)cc1C
InChIInChI=1S/C16H17BrN2O4/c1-9-4-5-12(8-10(9)2)22-11(3)15(20)18-19-16(21)13-6-7-14(17)23-13/h4-8,11H,1-3H3,(H,18,20)(H,19,21)
InChIKeyFYDJHVHAPXOAEI-UHFFFAOYSA-N
MW381.23 g/mol
LogP2.89
Rot. Bonds4

About 5-bromo-N'-[2-(3,4-dimethylphenoxy)propanoyl]furan-2-carbohydrazide

5-bromo-N'-[2-(3,4-dimethylphenoxy)propanoyl]furan-2-carbohydrazide (PubChem CID 17169354) has the molecular formula C16H17BrN2O4 and a molecular weight of 381.23 g/mol. Its IUPAC name is 5-bromo-N'-[2-(3,4-dimethylphenoxy)propanoyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N'-[2-(3,4-dimethylphenoxy)propanoyl]furan-2-carbohydrazide
PubChem CID17169354
Molecular FormulaC16H17BrN2O4
Molecular Weight381.23 g/mol
Exact Mass380.04
IUPAC Name5-bromo-N'-[2-(3,4-dimethylphenoxy)propanoyl]furan-2-carbohydrazide
SMILESCc1ccc(OC(C)C(=O)NNC(=O)c2ccc(Br)o2)cc1C
InChIInChI=1S/C16H17BrN2O4/c1-9-4-5-12(8-10(9)2)22-11(3)15(20)18-19-16(21)13-6-7-14(17)23-13/h4-8,11H,1-3H3,(H,18,20)(H,19,21)
InChIKeyFYDJHVHAPXOAEI-UHFFFAOYSA-N
XLogP2.89
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 17169390
5-bromo-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]furan-2-carboxamide
CID 108539867
5-bromo-N-[2-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 55347873
3,5-dichloro-N'-[2-(3,4-dimethylphenoxy)propanoyl]benzohydrazide
CID 17169474
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 17169425
(2R)-2-(3-bromophenoxy)-N'-[2-(3,4-dimethylphenyl)acetyl]propanehydrazide
CID 9370726
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-propan-2-yloxybenzohydrazide
CID 17169456
3-bromo-N'-[2-(4-ethylphenoxy)propanoyl]-4-methylbenzohydrazide
CID 4953482
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide
CID 17169378
N'-[2-(3,4-dimethylphenoxy)propanoyl]cyclopropanecarbohydrazide
CID 17169360
1-N',4-N'-bis[2-(3,4-dimethylphenoxy)propanoyl]cyclohexane-1,4-dicarbohydrazide
CID 17169729
3-bromo-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-methylbenzamide
CID 17169512

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-[2-(3,4-dimethylphenoxy)propanoyl]furan-2-carbohydrazide?
The IUPAC name of 5-bromo-N'-[2-(3,4-dimethylphenoxy)propanoyl]furan-2-carbohydrazide (CID 17169354) is 5-bromo-N'-[2-(3,4-dimethylphenoxy)propanoyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-bromo-N'-[2-(3,4-dimethylphenoxy)propanoyl]furan-2-carbohydrazide?
The canonical SMILES for 5-bromo-N'-[2-(3,4-dimethylphenoxy)propanoyl]furan-2-carbohydrazide is Cc1ccc(OC(C)C(=O)NNC(=O)c2ccc(Br)o2)cc1C.
What is the InChIKey of 5-bromo-N'-[2-(3,4-dimethylphenoxy)propanoyl]furan-2-carbohydrazide?
The InChIKey is FYDJHVHAPXOAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O4/c1-9-4-5-12(8-10(9)2)22-11(3)15(20)18-19-16(21)13-6-7-14(17)23-13/h4-8,11H,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 5-bromo-N'-[2-(3,4-dimethylphenoxy)propanoyl]furan-2-carbohydrazide?
5-bromo-N'-[2-(3,4-dimethylphenoxy)propanoyl]furan-2-carbohydrazide has a molecular weight of 381.23 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-[2-(3,4-dimethylphenoxy)propanoyl]furan-2-carbohydrazide is sourced from PubChem (CID 17169354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).