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

C14H12ClN3O3 — CID 102724819

IUPAC4-[(3-chloro-4-cyanophenoxy)methyl]-5-methylfuran-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1COc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C14H12ClN3O3/c1-8-10(4-13(21-8)14(19)18-17)7-20-11-3-2-9(6-16)12(15)5-11/h2-5H,7,17H2,1H3,(H,18,19)
InChIKeyGJNFCJPPCRHDFG-UHFFFAOYSA-N
MW305.72 g/mol
LogP2.30
Rot. Bonds4

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

4-[(3-chloro-4-cyanophenoxy)methyl]-5-methylfuran-2-carbohydrazide (PubChem CID 102724819) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 4-[(3-chloro-4-cyanophenoxy)methyl]-5-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name4-[(3-chloro-4-cyanophenoxy)methyl]-5-methylfuran-2-carbohydrazide
PubChem CID102724819
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name4-[(3-chloro-4-cyanophenoxy)methyl]-5-methylfuran-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1COc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C14H12ClN3O3/c1-8-10(4-13(21-8)14(19)18-17)7-20-11-3-2-9(6-16)12(15)5-11/h2-5H,7,17H2,1H3,(H,18,19)
InChIKeyGJNFCJPPCRHDFG-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

5-[(3-chloro-4-cyanophenoxy)methyl]-2-methylfuran-3-carbohydrazide
CID 102724830
4-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methoxy]benzamide
CID 63575000
4-[(2-chlorophenoxy)methyl]-5-methylfuran-2-carbohydrazide
CID 55212421
5-[(3-chloro-4-cyanophenoxy)methyl]thiophene-2-carbohydrazide
CID 102724829
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-5-methylfuran-2-carbohydrazide
CID 63575043
4-[(3-ethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide
CID 63576037
6-[(3-chloro-4-cyanophenoxy)methyl]pyridine-3-carbohydrazide
CID 102724820
4-[(4-chloro-2,6-dimethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide
CID 63575453
4-[(2-chlorophenyl)methoxymethyl]-5-methylfuran-2-carbohydrazide
CID 63586474
2-[2-[(3-chloro-4-cyanophenoxy)methyl]phenyl]acetic acid
CID 102723934
4-[(4-chlorophenyl)methoxymethyl]-5-methylfuran-2-carbohydrazide
CID 65130569
4-[(4-carbamoylphenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 62273259

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-cyanophenoxy)methyl]-5-methylfuran-2-carbohydrazide?
The IUPAC name of 4-[(3-chloro-4-cyanophenoxy)methyl]-5-methylfuran-2-carbohydrazide (CID 102724819) is 4-[(3-chloro-4-cyanophenoxy)methyl]-5-methylfuran-2-carbohydrazide.
What is the SMILES notation for 4-[(3-chloro-4-cyanophenoxy)methyl]-5-methylfuran-2-carbohydrazide?
The canonical SMILES for 4-[(3-chloro-4-cyanophenoxy)methyl]-5-methylfuran-2-carbohydrazide is Cc1oc(C(=O)NN)cc1COc1ccc(C#N)c(Cl)c1.
What is the InChIKey of 4-[(3-chloro-4-cyanophenoxy)methyl]-5-methylfuran-2-carbohydrazide?
The InChIKey is GJNFCJPPCRHDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c1-8-10(4-13(21-8)14(19)18-17)7-20-11-3-2-9(6-16)12(15)5-11/h2-5H,7,17H2,1H3,(H,18,19).
What are the key properties of 4-[(3-chloro-4-cyanophenoxy)methyl]-5-methylfuran-2-carbohydrazide?
4-[(3-chloro-4-cyanophenoxy)methyl]-5-methylfuran-2-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 4-[(3-chloro-4-cyanophenoxy)methyl]-5-methylfuran-2-carbohydrazide is sourced from PubChem (CID 102724819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).