3-[(2,6-dichlorophenoxy)methyl]furan-2-carbohydrazide

C12H10Cl2N2O3 — CID 63576760

IUPAC3-[(2,6-dichlorophenoxy)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1occc1COc1c(Cl)cccc1Cl
InChIInChI=1S/C12H10Cl2N2O3/c13-8-2-1-3-9(14)11(8)19-6-7-4-5-18-10(7)12(17)16-15/h1-5H,6,15H2,(H,16,17)
InChIKeyQDLDLSCRIPENFT-UHFFFAOYSA-N
MW301.13 g/mol
LogP2.77
Rot. Bonds4

About 3-[(2,6-dichlorophenoxy)methyl]furan-2-carbohydrazide

3-[(2,6-dichlorophenoxy)methyl]furan-2-carbohydrazide (PubChem CID 63576760) has the molecular formula C12H10Cl2N2O3 and a molecular weight of 301.13 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenoxy)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[(2,6-dichlorophenoxy)methyl]furan-2-carbohydrazide
PubChem CID63576760
Molecular FormulaC12H10Cl2N2O3
Molecular Weight301.13 g/mol
Exact Mass300.01
IUPAC Name3-[(2,6-dichlorophenoxy)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1occc1COc1c(Cl)cccc1Cl
InChIInChI=1S/C12H10Cl2N2O3/c13-8-2-1-3-9(14)11(8)19-6-7-4-5-18-10(7)12(17)16-15/h1-5H,6,15H2,(H,16,17)
InChIKeyQDLDLSCRIPENFT-UHFFFAOYSA-N
XLogP2.77
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 52.77
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

3-[(2-chloro-6-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 83052094
3-[(2-bromo-6-methoxyphenoxy)methyl]furan-2-carbohydrazide
CID 83135085
3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-carbohydrazide
CID 63576593
3-[(3-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 63577037
3-[(2-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 63575637
3-(propan-2-yloxymethyl)furan-2-carbohydrazide
CID 63576965
3-(quinolin-5-yloxymethyl)furan-2-carbohydrazide
CID 103045950
3-[(4-cyano-2,6-dimethylphenoxy)methyl]furan-2-carbohydrazide
CID 65472904
3-[(5-chloro-2-cyanophenoxy)methyl]furan-2-carbohydrazide
CID 114324023
2-[4-[(2,6-dichlorophenoxy)methyl]phenyl]acetohydrazide
CID 105351478
N-[(2-chlorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 26014402
3-[(3-methyl-2-nitrophenoxy)methyl]furan-2-carbohydrazide
CID 63570159

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenoxy)methyl]furan-2-carbohydrazide?
The IUPAC name of 3-[(2,6-dichlorophenoxy)methyl]furan-2-carbohydrazide (CID 63576760) is 3-[(2,6-dichlorophenoxy)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-[(2,6-dichlorophenoxy)methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-[(2,6-dichlorophenoxy)methyl]furan-2-carbohydrazide is NNC(=O)c1occc1COc1c(Cl)cccc1Cl.
What is the InChIKey of 3-[(2,6-dichlorophenoxy)methyl]furan-2-carbohydrazide?
The InChIKey is QDLDLSCRIPENFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O3/c13-8-2-1-3-9(14)11(8)19-6-7-4-5-18-10(7)12(17)16-15/h1-5H,6,15H2,(H,16,17).
What are the key properties of 3-[(2,6-dichlorophenoxy)methyl]furan-2-carbohydrazide?
3-[(2,6-dichlorophenoxy)methyl]furan-2-carbohydrazide has a molecular weight of 301.13 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenoxy)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63576760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).