2-(2-chloro-4-fluorophenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide

C18H18ClFN2O4 — CID 9428415

IUPAC2-(2-chloro-4-fluorophenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide
SMILESCc1cccc(C)c1OCC(=O)NNC(=O)COc1ccc(F)cc1Cl
InChIInChI=1S/C18H18ClFN2O4/c1-11-4-3-5-12(2)18(11)26-10-17(24)22-21-16(23)9-25-15-7-6-13(20)8-14(15)19/h3-8H,9-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGFUFATIBBUGIIE-UHFFFAOYSA-N
MW380.80 g/mol
LogP2.70
Rot. Bonds6

About 2-(2-chloro-4-fluorophenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide

2-(2-chloro-4-fluorophenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide (PubChem CID 9428415) has the molecular formula C18H18ClFN2O4 and a molecular weight of 380.80 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide
PubChem CID9428415
Molecular FormulaC18H18ClFN2O4
Molecular Weight380.80 g/mol
Exact Mass380.09
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide
SMILESCc1cccc(C)c1OCC(=O)NNC(=O)COc1ccc(F)cc1Cl
InChIInChI=1S/C18H18ClFN2O4/c1-11-4-3-5-12(2)18(11)26-10-17(24)22-21-16(23)9-25-15-7-6-13(20)8-14(15)19/h3-8H,9-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGFUFATIBBUGIIE-UHFFFAOYSA-N
XLogP2.70
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.80
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'}

Analyze 2-(2-chloro-4-fluorophenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 9428452
2-(2-chloro-4-fluorophenoxy)acetohydrazide
CID 3818760
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide
CID 27698260
N-(3-acetamidophenyl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 17172943
2-(2-chloro-4-fluorophenoxy)-N-(4-methylphenyl)acetamide
CID 9402450
2-[[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]carbamoyl]benzoic acid
CID 134095807
2-(2-chloro-4-fluorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 7610294
2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 9427637
2-(2-chloro-4-fluorophenoxy)-N-propylacetamide
CID 60624592
2-(2-chloro-4-fluorophenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
CID 9428838
N-(2,5-difluorophenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 2711364
2-(2-bromo-4-ethylphenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide
CID 4504195

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide (CID 9428415) is 2-(2-chloro-4-fluorophenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide is Cc1cccc(C)c1OCC(=O)NNC(=O)COc1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide?
The InChIKey is GFUFATIBBUGIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O4/c1-11-4-3-5-12(2)18(11)26-10-17(24)22-21-16(23)9-25-15-7-6-13(20)8-14(15)19/h3-8H,9-10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide?
2-(2-chloro-4-fluorophenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide has a molecular weight of 380.80 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 9428415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).