N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide

C16H17ClN2O4 — CID 2715725

IUPACN'-[2-(4-chloro-3-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)COc2ccc(Cl)c(C)c2)c(C)o1
InChIInChI=1S/C16H17ClN2O4/c1-9-6-12(4-5-14(9)17)22-8-15(20)18-19-16(21)13-7-10(2)23-11(13)3/h4-7H,8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyZEUSQWOGRLBAOH-UHFFFAOYSA-N
MW336.78 g/mol
LogP2.70
Rot. Bonds4

About N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide

N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 2715725) has the molecular formula C16H17ClN2O4 and a molecular weight of 336.78 g/mol. Its IUPAC name is N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chloro-3-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide
PubChem CID2715725
Molecular FormulaC16H17ClN2O4
Molecular Weight336.78 g/mol
Exact Mass336.09
IUPAC NameN'-[2-(4-chloro-3-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)COc2ccc(Cl)c(C)c2)c(C)o1
InChIInChI=1S/C16H17ClN2O4/c1-9-6-12(4-5-14(9)17)22-8-15(20)18-19-16(21)13-7-10(2)23-11(13)3/h4-7H,8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyZEUSQWOGRLBAOH-UHFFFAOYSA-N
XLogP2.70
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 52.70
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-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
N'-[2-(2-chloro-5-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9468212
N'-[2-(4-iodophenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 55332060
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 24543065
N'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide
CID 47102396
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide
CID 17353570
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965968
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2-(2-methylpropoxy)benzohydrazide
CID 4945545
5-bromo-N-[2-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 24538963
2-chloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-4-fluorobenzohydrazide
CID 27569390
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide
CID 18268166
2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide
CID 17233325

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide (CID 2715725) is N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)COc2ccc(Cl)c(C)c2)c(C)o1.
What is the InChIKey of N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is ZEUSQWOGRLBAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4/c1-9-6-12(4-5-14(9)17)22-8-15(20)18-19-16(21)13-7-10(2)23-11(13)3/h4-7H,8H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide?
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 336.78 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 2715725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).