2-(2,4-dichlorophenoxy)-N'-[2-(4-nitrophenyl)acetyl]propanehydrazide

C17H15Cl2N3O5 — CID 3120247

IUPAC2-(2,4-dichlorophenoxy)-N'-[2-(4-nitrophenyl)acetyl]propanehydrazide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H15Cl2N3O5/c1-10(27-15-7-4-12(18)9-14(15)19)17(24)21-20-16(23)8-11-2-5-13(6-3-11)22(25)26/h2-7,9-10H,8H2,1H3,(H,20,23)(H,21,24)
InChIKeyJUFDPUROCDIAOI-UHFFFAOYSA-N
MW412.23 g/mol
LogP3.06
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N'-[2-(4-nitrophenyl)acetyl]propanehydrazide

2-(2,4-dichlorophenoxy)-N'-[2-(4-nitrophenyl)acetyl]propanehydrazide (PubChem CID 3120247) has the molecular formula C17H15Cl2N3O5 and a molecular weight of 412.23 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N'-[2-(4-nitrophenyl)acetyl]propanehydrazide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N'-[2-(4-nitrophenyl)acetyl]propanehydrazide
PubChem CID3120247
Molecular FormulaC17H15Cl2N3O5
Molecular Weight412.23 g/mol
Exact Mass411.04
IUPAC Name2-(2,4-dichlorophenoxy)-N'-[2-(4-nitrophenyl)acetyl]propanehydrazide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H15Cl2N3O5/c1-10(27-15-7-4-12(18)9-14(15)19)17(24)21-20-16(23)8-11-2-5-13(6-3-11)22(25)26/h2-7,9-10H,8H2,1H3,(H,20,23)(H,21,24)
InChIKeyJUFDPUROCDIAOI-UHFFFAOYSA-N
XLogP3.06
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.23
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2,4-dichlorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 7046351
N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]-3-methylbutanehydrazide
CID 41387582
2-(2,4-dichlorophenoxy)-N'-[2-(2,4-dichlorophenoxy)acetyl]propanehydrazide
CID 3120230
(E)-N-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17187369
(2S)-2-(2,4-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)propanamide
CID 7278991
2-(2,4-dichlorophenoxy)-N-(2,4-dinitrophenyl)propanamide
CID 5226893
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,5-dichlorophenyl)propanamide
CID 7865912
(2S)-2-(2-chloro-4-nitrophenoxy)-N-ethylpropanamide
CID 9410254
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 3354989
1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide
CID 3359373
2-(2,4-dichlorophenoxy)-N-[(2-methoxy-5-nitrophenyl)carbamothioyl]propanamide
CID 5185381
(2R)-2-(2,4-dichlorophenoxy)-N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 7728372

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N'-[2-(4-nitrophenyl)acetyl]propanehydrazide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N'-[2-(4-nitrophenyl)acetyl]propanehydrazide (CID 3120247) is 2-(2,4-dichlorophenoxy)-N'-[2-(4-nitrophenyl)acetyl]propanehydrazide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N'-[2-(4-nitrophenyl)acetyl]propanehydrazide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N'-[2-(4-nitrophenyl)acetyl]propanehydrazide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N'-[2-(4-nitrophenyl)acetyl]propanehydrazide?
The InChIKey is JUFDPUROCDIAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O5/c1-10(27-15-7-4-12(18)9-14(15)19)17(24)21-20-16(23)8-11-2-5-13(6-3-11)22(25)26/h2-7,9-10H,8H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 2-(2,4-dichlorophenoxy)-N'-[2-(4-nitrophenyl)acetyl]propanehydrazide?
2-(2,4-dichlorophenoxy)-N'-[2-(4-nitrophenyl)acetyl]propanehydrazide has a molecular weight of 412.23 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N'-[2-(4-nitrophenyl)acetyl]propanehydrazide is sourced from PubChem (CID 3120247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).