2-[(3-chloro-2-fluorophenoxy)methyl]furan-3-carbohydrazide

C12H10ClFN2O3 — CID 116690676

IUPAC2-[(3-chloro-2-fluorophenoxy)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1COc1cccc(Cl)c1F
InChIInChI=1S/C12H10ClFN2O3/c13-8-2-1-3-9(11(8)14)19-6-10-7(4-5-18-10)12(17)16-15/h1-5H,6,15H2,(H,16,17)
InChIKeyPCDRDKYXOBJNAR-UHFFFAOYSA-N
MW284.67 g/mol
LogP2.25
Rot. Bonds4

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

2-[(3-chloro-2-fluorophenoxy)methyl]furan-3-carbohydrazide (PubChem CID 116690676) has the molecular formula C12H10ClFN2O3 and a molecular weight of 284.67 g/mol. Its IUPAC name is 2-[(3-chloro-2-fluorophenoxy)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[(3-chloro-2-fluorophenoxy)methyl]furan-3-carbohydrazide
PubChem CID116690676
Molecular FormulaC12H10ClFN2O3
Molecular Weight284.67 g/mol
Exact Mass284.04
IUPAC Name2-[(3-chloro-2-fluorophenoxy)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1COc1cccc(Cl)c1F
InChIInChI=1S/C12H10ClFN2O3/c13-8-2-1-3-9(11(8)14)19-6-10-7(4-5-18-10)12(17)16-15/h1-5H,6,15H2,(H,16,17)
InChIKeyPCDRDKYXOBJNAR-UHFFFAOYSA-N
XLogP2.25
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.67
LogP ≤ 52.25
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-bromo-4-chlorophenoxy)methyl]furan-3-carbohydrazide
CID 63574643
N-[2-[[3-(hydrazinecarbonyl)furan-2-yl]methoxy]phenyl]acetamide
CID 63575847
2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carbohydrazide
CID 63575233
2-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-3-carbohydrazide
CID 63568549
2-[(2,5-dimethylphenoxy)methyl]furan-3-carbohydrazide
CID 63576851
2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carbohydrazide
CID 63571060
2-[(3-ethylphenoxy)methyl]furan-3-carbohydrazide
CID 55258210
2-[[2-[(2-chlorophenoxy)methyl]furan-3-carbonyl]amino]-5-hydroxybenzoic acid
CID 4894470
2-[(5-cyano-2-methylphenoxy)methyl]furan-3-carbohydrazide
CID 107661566
2-[(3-chloro-2-fluoroanilino)methyl]furan-3-carboxylic acid
CID 103236435
2-[(2-chlorophenoxy)methyl]benzohydrazide
CID 63576691
2-[2-(2-methoxyethoxy)ethoxymethyl]furan-3-carbohydrazide
CID 104567494

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-fluorophenoxy)methyl]furan-3-carbohydrazide?
The IUPAC name of 2-[(3-chloro-2-fluorophenoxy)methyl]furan-3-carbohydrazide (CID 116690676) is 2-[(3-chloro-2-fluorophenoxy)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[(3-chloro-2-fluorophenoxy)methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[(3-chloro-2-fluorophenoxy)methyl]furan-3-carbohydrazide is NNC(=O)c1ccoc1COc1cccc(Cl)c1F.
What is the InChIKey of 2-[(3-chloro-2-fluorophenoxy)methyl]furan-3-carbohydrazide?
The InChIKey is PCDRDKYXOBJNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O3/c13-8-2-1-3-9(11(8)14)19-6-10-7(4-5-18-10)12(17)16-15/h1-5H,6,15H2,(H,16,17).
What are the key properties of 2-[(3-chloro-2-fluorophenoxy)methyl]furan-3-carbohydrazide?
2-[(3-chloro-2-fluorophenoxy)methyl]furan-3-carbohydrazide has a molecular weight of 284.67 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-fluorophenoxy)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 116690676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).