2-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-3-carbohydrazide

C14H15ClN2O3 — CID 63568549

IUPAC2-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-3-carbohydrazide
SMILESCc1cc(OCc2occc2C(=O)NN)cc(C)c1Cl
InChIInChI=1S/C14H15ClN2O3/c1-8-5-10(6-9(2)13(8)15)20-7-12-11(3-4-19-12)14(18)17-16/h3-6H,7,16H2,1-2H3,(H,17,18)
InChIKeyPSMAFMVJJSONGU-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.73
Rot. Bonds4

About 2-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-3-carbohydrazide

2-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-3-carbohydrazide (PubChem CID 63568549) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 2-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-3-carbohydrazide
PubChem CID63568549
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name2-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-3-carbohydrazide
SMILESCc1cc(OCc2occc2C(=O)NN)cc(C)c1Cl
InChIInChI=1S/C14H15ClN2O3/c1-8-5-10(6-9(2)13(8)15)20-7-12-11(3-4-19-12)14(18)17-16/h3-6H,7,16H2,1-2H3,(H,17,18)
InChIKeyPSMAFMVJJSONGU-UHFFFAOYSA-N
XLogP2.73
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,5-dimethylphenoxy)methyl]furan-3-carbohydrazide
CID 63576851
2-[(3-ethylphenoxy)methyl]furan-3-carbohydrazide
CID 55258210
2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carbohydrazide
CID 63571060
2-[(5-cyano-2-methylphenoxy)methyl]furan-3-carbohydrazide
CID 107661566
2-[(2-bromo-4-chlorophenoxy)methyl]furan-3-carbohydrazide
CID 63574643
2-[(3-bromo-5-nitrophenoxy)methyl]furan-3-carbohydrazide
CID 103589511
2-[(3-chloro-2-fluorophenoxy)methyl]furan-3-carbohydrazide
CID 116690676
2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carbohydrazide
CID 63575233
2-[2-(2-methoxyethoxy)ethoxymethyl]furan-3-carbohydrazide
CID 104567494
N-[2-[[3-(hydrazinecarbonyl)furan-2-yl]methoxy]phenyl]acetamide
CID 63575847
2-[(4-bromo-3-methylphenoxy)methyl]furan-3-carboxylic acid
CID 83133234
2-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-3-carboxylic acid
CID 43477473

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-3-carbohydrazide?
The IUPAC name of 2-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-3-carbohydrazide (CID 63568549) is 2-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-3-carbohydrazide is Cc1cc(OCc2occc2C(=O)NN)cc(C)c1Cl.
What is the InChIKey of 2-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-3-carbohydrazide?
The InChIKey is PSMAFMVJJSONGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-8-5-10(6-9(2)13(8)15)20-7-12-11(3-4-19-12)14(18)17-16/h3-6H,7,16H2,1-2H3,(H,17,18).
What are the key properties of 2-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-3-carbohydrazide?
2-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-3-carbohydrazide has a molecular weight of 294.74 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63568549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).