2-(2,4-dichlorophenoxy)-N'-(2,2,2-trifluoroacetyl)propanehydrazide

C11H9Cl2F3N2O3 — CID 3349726

IUPAC2-(2,4-dichlorophenoxy)-N'-(2,2,2-trifluoroacetyl)propanehydrazide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)C(F)(F)F
InChIInChI=1S/C11H9Cl2F3N2O3/c1-5(9(19)17-18-10(20)11(14,15)16)21-8-3-2-6(12)4-7(8)13/h2-5H,1H3,(H,17,19)(H,18,20)
InChIKeySPWSTROXJRGEOP-UHFFFAOYSA-N
MW345.10 g/mol
LogP2.47
Rot. Bonds3

About 2-(2,4-dichlorophenoxy)-N'-(2,2,2-trifluoroacetyl)propanehydrazide

2-(2,4-dichlorophenoxy)-N'-(2,2,2-trifluoroacetyl)propanehydrazide (PubChem CID 3349726) has the molecular formula C11H9Cl2F3N2O3 and a molecular weight of 345.10 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N'-(2,2,2-trifluoroacetyl)propanehydrazide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N'-(2,2,2-trifluoroacetyl)propanehydrazide
PubChem CID3349726
Molecular FormulaC11H9Cl2F3N2O3
Molecular Weight345.10 g/mol
Exact Mass343.99
IUPAC Name2-(2,4-dichlorophenoxy)-N'-(2,2,2-trifluoroacetyl)propanehydrazide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)C(F)(F)F
InChIInChI=1S/C11H9Cl2F3N2O3/c1-5(9(19)17-18-10(20)11(14,15)16)21-8-3-2-6(12)4-7(8)13/h2-5H,1H3,(H,17,19)(H,18,20)
InChIKeySPWSTROXJRGEOP-UHFFFAOYSA-N
XLogP2.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.10
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide
CID 3359373
tert-butyl N-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamate
CID 51573379
N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 43004127
2-(2,4-dichlorophenoxy)-N'-[2-(2,4-dichlorophenoxy)acetyl]propanehydrazide
CID 3120230
N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]-3-methylbutanehydrazide
CID 41387582
(2S)-2-(2,4-dichlorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 7046351
1-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-3-methylthiourea
CID 40640579
2-(2,4-dichlorophenoxy)propanoyl chloride
CID 14303380
2-(2,4-dichlorophenoxy)-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82724609
2-(2,4-dichlorophenoxy)-N'-(4-fluorophenyl)propanehydrazide
CID 118727201
N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-propan-2-ylbenzohydrazide
CID 17177533
(2S)-2-(2,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 7720105

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N'-(2,2,2-trifluoroacetyl)propanehydrazide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N'-(2,2,2-trifluoroacetyl)propanehydrazide (CID 3349726) is 2-(2,4-dichlorophenoxy)-N'-(2,2,2-trifluoroacetyl)propanehydrazide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N'-(2,2,2-trifluoroacetyl)propanehydrazide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N'-(2,2,2-trifluoroacetyl)propanehydrazide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)C(F)(F)F.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N'-(2,2,2-trifluoroacetyl)propanehydrazide?
The InChIKey is SPWSTROXJRGEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2F3N2O3/c1-5(9(19)17-18-10(20)11(14,15)16)21-8-3-2-6(12)4-7(8)13/h2-5H,1H3,(H,17,19)(H,18,20).
What are the key properties of 2-(2,4-dichlorophenoxy)-N'-(2,2,2-trifluoroacetyl)propanehydrazide?
2-(2,4-dichlorophenoxy)-N'-(2,2,2-trifluoroacetyl)propanehydrazide has a molecular weight of 345.10 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N'-(2,2,2-trifluoroacetyl)propanehydrazide is sourced from PubChem (CID 3349726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).