N'-[2-(2-chlorophenoxy)acetyl]-5-methylfuran-2-carbohydrazide

C14H13ClN2O4 — CID 17467699

IUPACN'-[2-(2-chlorophenoxy)acetyl]-5-methylfuran-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)COc2ccccc2Cl)o1
InChIInChI=1S/C14H13ClN2O4/c1-9-6-7-12(21-9)14(19)17-16-13(18)8-20-11-5-3-2-4-10(11)15/h2-7H,8H2,1H3,(H,16,18)(H,17,19)
InChIKeyMBVJHFWWZDOFRN-UHFFFAOYSA-N
MW308.72 g/mol
LogP2.08
Rot. Bonds4

About N'-[2-(2-chlorophenoxy)acetyl]-5-methylfuran-2-carbohydrazide

N'-[2-(2-chlorophenoxy)acetyl]-5-methylfuran-2-carbohydrazide (PubChem CID 17467699) has the molecular formula C14H13ClN2O4 and a molecular weight of 308.72 g/mol. Its IUPAC name is N'-[2-(2-chlorophenoxy)acetyl]-5-methylfuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-chlorophenoxy)acetyl]-5-methylfuran-2-carbohydrazide
PubChem CID17467699
Molecular FormulaC14H13ClN2O4
Molecular Weight308.72 g/mol
Exact Mass308.06
IUPAC NameN'-[2-(2-chlorophenoxy)acetyl]-5-methylfuran-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)COc2ccccc2Cl)o1
InChIInChI=1S/C14H13ClN2O4/c1-9-6-7-12(21-9)14(19)17-16-13(18)8-20-11-5-3-2-4-10(11)15/h2-7H,8H2,1H3,(H,16,18)(H,17,19)
InChIKeyMBVJHFWWZDOFRN-UHFFFAOYSA-N
XLogP2.08
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenoxy)-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 51187818
2-(4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 3372388
N'-[2-(2-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 2561230
N'-[2-(2-chlorophenoxy)acetyl]-3-phenylpropanehydrazide
CID 3139333
2-(2-chlorophenoxy)-N-hydroxyacetamide
CID 95562486
N'-[2-(2-chlorophenoxy)acetyl]-3,4-diethoxybenzohydrazide
CID 7601114
N'-[2-(2-chlorophenoxy)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide
CID 7601142
N-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioyl]acetamide
CID 4922767
4-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 3394735
2-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzamide
CID 9085660
2-(2-chlorophenoxy)-N-(2,5-dimethylpyrrol-1-yl)acetamide
CID 43822465
2-(2-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]propanehydrazide
CID 4932286

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chlorophenoxy)acetyl]-5-methylfuran-2-carbohydrazide?
The IUPAC name of N'-[2-(2-chlorophenoxy)acetyl]-5-methylfuran-2-carbohydrazide (CID 17467699) is N'-[2-(2-chlorophenoxy)acetyl]-5-methylfuran-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2-chlorophenoxy)acetyl]-5-methylfuran-2-carbohydrazide?
The canonical SMILES for N'-[2-(2-chlorophenoxy)acetyl]-5-methylfuran-2-carbohydrazide is Cc1ccc(C(=O)NNC(=O)COc2ccccc2Cl)o1.
What is the InChIKey of N'-[2-(2-chlorophenoxy)acetyl]-5-methylfuran-2-carbohydrazide?
The InChIKey is MBVJHFWWZDOFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4/c1-9-6-7-12(21-9)14(19)17-16-13(18)8-20-11-5-3-2-4-10(11)15/h2-7H,8H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-[2-(2-chlorophenoxy)acetyl]-5-methylfuran-2-carbohydrazide?
N'-[2-(2-chlorophenoxy)acetyl]-5-methylfuran-2-carbohydrazide has a molecular weight of 308.72 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chlorophenoxy)acetyl]-5-methylfuran-2-carbohydrazide is sourced from PubChem (CID 17467699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).