2-(2,4-dichlorophenoxy)-N-(6-hydrazinyl-6-oxohexyl)acetamide

C14H19Cl2N3O3 — CID 68958426

IUPAC2-(2,4-dichlorophenoxy)-N-(6-hydrazinyl-6-oxohexyl)acetamide
SMILESNNC(=O)CCCCCNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2N3O3/c15-10-5-6-12(11(16)8-10)22-9-14(21)18-7-3-1-2-4-13(20)19-17/h5-6,8H,1-4,7,9,17H2,(H,18,21)(H,19,20)
InChIKeyKUZCIWCWXXYWQP-UHFFFAOYSA-N
MW348.23 g/mol
LogP2.04
Rot. Bonds9

About 2-(2,4-dichlorophenoxy)-N-(6-hydrazinyl-6-oxohexyl)acetamide

2-(2,4-dichlorophenoxy)-N-(6-hydrazinyl-6-oxohexyl)acetamide (PubChem CID 68958426) has the molecular formula C14H19Cl2N3O3 and a molecular weight of 348.23 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(6-hydrazinyl-6-oxohexyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(6-hydrazinyl-6-oxohexyl)acetamide
PubChem CID68958426
Molecular FormulaC14H19Cl2N3O3
Molecular Weight348.23 g/mol
Exact Mass347.08
IUPAC Name2-(2,4-dichlorophenoxy)-N-(6-hydrazinyl-6-oxohexyl)acetamide
SMILESNNC(=O)CCCCCNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2N3O3/c15-10-5-6-12(11(16)8-10)22-9-14(21)18-7-3-1-2-4-13(20)19-17/h5-6,8H,1-4,7,9,17H2,(H,18,21)(H,19,20)
InChIKeyKUZCIWCWXXYWQP-UHFFFAOYSA-N
XLogP2.04
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenoxy)-N-(6-oxohexyl)acetamide
CID 89195114
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
N-[4-(3-aminopropylamino)butyl]-2-(2,4-dichlorophenoxy)acetamide
CID 14751497
1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide
CID 4513160
N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide
CID 39401573
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
ethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate
CID 47437686
1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
CID 3363801
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
2-(2,4-dichlorophenoxy)-N-(3-ethenylsulfonylpropyl)acetamide
CID 147530715
3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide
CID 108541625
2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 99993663

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(6-hydrazinyl-6-oxohexyl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(6-hydrazinyl-6-oxohexyl)acetamide (CID 68958426) is 2-(2,4-dichlorophenoxy)-N-(6-hydrazinyl-6-oxohexyl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(6-hydrazinyl-6-oxohexyl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(6-hydrazinyl-6-oxohexyl)acetamide is NNC(=O)CCCCCNC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(6-hydrazinyl-6-oxohexyl)acetamide?
The InChIKey is KUZCIWCWXXYWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O3/c15-10-5-6-12(11(16)8-10)22-9-14(21)18-7-3-1-2-4-13(20)19-17/h5-6,8H,1-4,7,9,17H2,(H,18,21)(H,19,20).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(6-hydrazinyl-6-oxohexyl)acetamide?
2-(2,4-dichlorophenoxy)-N-(6-hydrazinyl-6-oxohexyl)acetamide has a molecular weight of 348.23 g/mol, XLogP of 2.04, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(6-hydrazinyl-6-oxohexyl)acetamide is sourced from PubChem (CID 68958426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).