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

C13H10ClN3O3 — CID 63575233

IUPAC2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carbohydrazide
SMILESN#Cc1ccc(OCc2occc2C(=O)NN)c(Cl)c1
InChIInChI=1S/C13H10ClN3O3/c14-10-5-8(6-15)1-2-11(10)20-7-12-9(3-4-19-12)13(18)17-16/h1-5H,7,16H2,(H,17,18)
InChIKeyVFAJRYYOTLNWFX-UHFFFAOYSA-N
MW291.69 g/mol
LogP1.99
Rot. Bonds4

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

2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carbohydrazide (PubChem CID 63575233) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carbohydrazide
PubChem CID63575233
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Name2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carbohydrazide
SMILESN#Cc1ccc(OCc2occc2C(=O)NN)c(Cl)c1
InChIInChI=1S/C13H10ClN3O3/c14-10-5-8(6-15)1-2-11(10)20-7-12-9(3-4-19-12)13(18)17-16/h1-5H,7,16H2,(H,17,18)
InChIKeyVFAJRYYOTLNWFX-UHFFFAOYSA-N
XLogP1.99
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

methyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate
CID 31125107
2-[(5-cyano-2-methylphenoxy)methyl]furan-3-carbohydrazide
CID 107661566
ethyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate
CID 39969066
2-[(2-bromo-4-chlorophenoxy)methyl]furan-3-carbohydrazide
CID 63574643
2-[(2,5-dimethylphenoxy)methyl]furan-3-carbohydrazide
CID 63576851
2-[(3-chloro-2-fluorophenoxy)methyl]furan-3-carbohydrazide
CID 116690676
2-chloro-4-cyanobenzohydrazide
CID 130952526
4-[(2-chloro-4-cyanophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63575239
2-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-3-carbohydrazide
CID 63568549
2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carbohydrazide
CID 63571060
4-[(2-chloro-4-cyanophenoxy)methyl]-N-phenylbenzamide
CID 8977230
4-(2-amino-2-methylpropoxy)-3-chlorobenzonitrile
CID 64536195

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carbohydrazide?
The IUPAC name of 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carbohydrazide (CID 63575233) is 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carbohydrazide is N#Cc1ccc(OCc2occc2C(=O)NN)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carbohydrazide?
The InChIKey is VFAJRYYOTLNWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c14-10-5-8(6-15)1-2-11(10)20-7-12-9(3-4-19-12)13(18)17-16/h1-5H,7,16H2,(H,17,18).
What are the key properties of 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carbohydrazide?
2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carbohydrazide has a molecular weight of 291.69 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63575233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).