3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-carbohydrazide

C14H15ClN2O3 — CID 63576593

IUPAC3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-carbohydrazide
SMILESCCc1cc(OCc2ccoc2C(=O)NN)ccc1Cl
InChIInChI=1S/C14H15ClN2O3/c1-2-9-7-11(3-4-12(9)15)20-8-10-5-6-19-13(10)14(18)17-16/h3-7H,2,8,16H2,1H3,(H,17,18)
InChIKeyDBOIBZAVICUCDG-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.68
Rot. Bonds5

About 3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-carbohydrazide

3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-carbohydrazide (PubChem CID 63576593) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-carbohydrazide
PubChem CID63576593
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-carbohydrazide
SMILESCCc1cc(OCc2ccoc2C(=O)NN)ccc1Cl
InChIInChI=1S/C14H15ClN2O3/c1-2-9-7-11(3-4-12(9)15)20-8-10-5-6-19-13(10)14(18)17-16/h3-7H,2,8,16H2,1H3,(H,17,18)
InChIKeyDBOIBZAVICUCDG-UHFFFAOYSA-N
XLogP2.68
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.68
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

N-[[3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62486443
3-[(2,6-dichlorophenoxy)methyl]furan-2-carbohydrazide
CID 63576760
3-[(3-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 63577037
3-[(2-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 63575637
3-[(4-ethyl-2-methoxyphenoxy)methyl]furan-2-carbohydrazide
CID 107668802
3-[(2-chloro-6-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 83052094
3-[(2,5-dimethylphenoxy)methyl]furan-2-carbohydrazide
CID 63576692
3-(propan-2-yloxymethyl)furan-2-carbohydrazide
CID 63576965
3-[(5-chloro-2-cyanophenoxy)methyl]furan-2-carbohydrazide
CID 114324023
N-ethoxy-3-(phenoxymethyl)furan-2-carboxamide
CID 30690709
N-[(2-chlorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 26014402
3-[(4-cyano-2,6-dimethylphenoxy)methyl]furan-2-carbohydrazide
CID 65472904

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-carbohydrazide?
The IUPAC name of 3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-carbohydrazide (CID 63576593) is 3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-carbohydrazide is CCc1cc(OCc2ccoc2C(=O)NN)ccc1Cl.
What is the InChIKey of 3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-carbohydrazide?
The InChIKey is DBOIBZAVICUCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-2-9-7-11(3-4-12(9)15)20-8-10-5-6-19-13(10)14(18)17-16/h3-7H,2,8,16H2,1H3,(H,17,18).
What are the key properties of 3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-carbohydrazide?
3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-carbohydrazide has a molecular weight of 294.74 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63576593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).