5-[(3-chloro-4-cyanophenoxy)methyl]-2-methylfuran-3-carbohydrazide

C14H12ClN3O3 — CID 102724830

IUPAC5-[(3-chloro-4-cyanophenoxy)methyl]-2-methylfuran-3-carbohydrazide
SMILESCc1oc(COc2ccc(C#N)c(Cl)c2)cc1C(=O)NN
InChIInChI=1S/C14H12ClN3O3/c1-8-12(14(19)18-17)4-11(21-8)7-20-10-3-2-9(6-16)13(15)5-10/h2-5H,7,17H2,1H3,(H,18,19)
InChIKeyLCMIOUWZXKGEGN-UHFFFAOYSA-N
MW305.72 g/mol
LogP2.30
Rot. Bonds4

About 5-[(3-chloro-4-cyanophenoxy)methyl]-2-methylfuran-3-carbohydrazide

5-[(3-chloro-4-cyanophenoxy)methyl]-2-methylfuran-3-carbohydrazide (PubChem CID 102724830) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 5-[(3-chloro-4-cyanophenoxy)methyl]-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound Name5-[(3-chloro-4-cyanophenoxy)methyl]-2-methylfuran-3-carbohydrazide
PubChem CID102724830
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name5-[(3-chloro-4-cyanophenoxy)methyl]-2-methylfuran-3-carbohydrazide
SMILESCc1oc(COc2ccc(C#N)c(Cl)c2)cc1C(=O)NN
InChIInChI=1S/C14H12ClN3O3/c1-8-12(14(19)18-17)4-11(21-8)7-20-10-3-2-9(6-16)13(15)5-10/h2-5H,7,17H2,1H3,(H,18,19)
InChIKeyLCMIOUWZXKGEGN-UHFFFAOYSA-N
XLogP2.30
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 52.30
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

4-[(3-chloro-4-cyanophenoxy)methyl]-5-methylfuran-2-carbohydrazide
CID 102724819
5-[(3-chloro-4-cyanophenoxy)methyl]thiophene-2-carbohydrazide
CID 102724829
6-[(3-chloro-4-cyanophenoxy)methyl]pyridine-3-carbohydrazide
CID 102724820
5-[(3-chloro-4-cyanophenoxy)methyl]furan-3-carboxylic acid
CID 102723937
5-[(5-fluoro-2-methylphenoxy)methyl]-2-methylfuran-3-carbohydrazide
CID 102987684
5-[(3-chloro-4-nitrophenoxy)methyl]-2-methylfuran-3-carboxylic acid
CID 62113250
N-(3-chloro-4-cyanophenyl)-2,5-dimethylfuran-3-carboxamide
CID 78780293
5-[(2-iodophenoxy)methyl]-2-methylfuran-3-carbohydrazide
CID 63569641
2-methyl-5-[(2,4,6-triiodophenoxy)methyl]furan-3-carbohydrazide
CID 63574578
methyl 5-[(4-methoxycarbonylphenoxy)methyl]-2-methylfuran-3-carboxylate
CID 9019518
3-(3-chloro-4-cyanophenoxy)-N-ethylpropanamide
CID 102724123
2-chloro-4-(2-hydroxyethoxy)benzonitrile
CID 62948337

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-4-cyanophenoxy)methyl]-2-methylfuran-3-carbohydrazide?
The IUPAC name of 5-[(3-chloro-4-cyanophenoxy)methyl]-2-methylfuran-3-carbohydrazide (CID 102724830) is 5-[(3-chloro-4-cyanophenoxy)methyl]-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for 5-[(3-chloro-4-cyanophenoxy)methyl]-2-methylfuran-3-carbohydrazide?
The canonical SMILES for 5-[(3-chloro-4-cyanophenoxy)methyl]-2-methylfuran-3-carbohydrazide is Cc1oc(COc2ccc(C#N)c(Cl)c2)cc1C(=O)NN.
What is the InChIKey of 5-[(3-chloro-4-cyanophenoxy)methyl]-2-methylfuran-3-carbohydrazide?
The InChIKey is LCMIOUWZXKGEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c1-8-12(14(19)18-17)4-11(21-8)7-20-10-3-2-9(6-16)13(15)5-10/h2-5H,7,17H2,1H3,(H,18,19).
What are the key properties of 5-[(3-chloro-4-cyanophenoxy)methyl]-2-methylfuran-3-carbohydrazide?
5-[(3-chloro-4-cyanophenoxy)methyl]-2-methylfuran-3-carbohydrazide has a molecular weight of 305.72 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-4-cyanophenoxy)methyl]-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 102724830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).