(2S)-2-(2,4-dichlorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide

C12H14Cl2N2O4 — CID 7046351

IUPAC(2S)-2-(2,4-dichlorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
SMILESCOCC(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N2O4/c1-7(12(18)16-15-11(17)6-19-2)20-10-4-3-8(13)5-9(10)14/h3-5,7H,6H2,1-2H3,(H,15,17)(H,16,18)/t7-/m0/s1
InChIKeyVXHIVPIOPOUZON-ZETCQYMHSA-N
MW321.16 g/mol
LogP1.55
Rot. Bonds5

About (2S)-2-(2,4-dichlorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide

(2S)-2-(2,4-dichlorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide (PubChem CID 7046351) has the molecular formula C12H14Cl2N2O4 and a molecular weight of 321.16 g/mol. Its IUPAC name is (2S)-2-(2,4-dichlorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide.

Molecular Properties

Compound Name(2S)-2-(2,4-dichlorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
PubChem CID7046351
Molecular FormulaC12H14Cl2N2O4
Molecular Weight321.16 g/mol
Exact Mass320.03
IUPAC Name(2S)-2-(2,4-dichlorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
SMILESCOCC(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N2O4/c1-7(12(18)16-15-11(17)6-19-2)20-10-4-3-8(13)5-9(10)14/h3-5,7H,6H2,1-2H3,(H,15,17)(H,16,18)/t7-/m0/s1
InChIKeyVXHIVPIOPOUZON-ZETCQYMHSA-N
XLogP1.55
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-(2,4-dichlorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide 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'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]-3-methylbutanehydrazide
CID 41387582
2-(2,4-dichlorophenoxy)-N'-[2-(2,4-dichlorophenoxy)acetyl]propanehydrazide
CID 3120230
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 3354989
(2R)-2-(2,4-dichlorophenoxy)-N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 7728372
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 4632856
N'-[2-(4-bromophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 3499331
1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide
CID 3359373
(2R)-2-(2,4-dichlorophenoxy)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 7386251
(2R)-N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 42579286
2-(2,4-dichlorophenoxy)-N'-(2,2,2-trifluoroacetyl)propanehydrazide
CID 3349726
1-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-3-methylthiourea
CID 40640579
N-(2-chlorophenyl)-4-[2-[2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-4-oxobutanamide
CID 5120294

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide?
The IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide (CID 7046351) is (2S)-2-(2,4-dichlorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide.
What is the SMILES notation for (2S)-2-(2,4-dichlorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide?
The canonical SMILES for (2S)-2-(2,4-dichlorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide is COCC(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of (2S)-2-(2,4-dichlorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide?
The InChIKey is VXHIVPIOPOUZON-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H14Cl2N2O4/c1-7(12(18)16-15-11(17)6-19-2)20-10-4-3-8(13)5-9(10)14/h3-5,7H,6H2,1-2H3,(H,15,17)(H,16,18)/t7-/m0/s1.
What are the key properties of (2S)-2-(2,4-dichlorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide?
(2S)-2-(2,4-dichlorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide has a molecular weight of 321.16 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dichlorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide is sourced from PubChem (CID 7046351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).