[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] (2S)-2-phenoxybutanoate

C20H21ClN2O6 — CID 7555599

IUPAC[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] (2S)-2-phenoxybutanoate
SMILESCC[C@H](Oc1ccccc1)C(=O)OCC(=O)NNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O6/c1-2-17(29-16-6-4-3-5-7-16)20(26)28-13-19(25)23-22-18(24)12-27-15-10-8-14(21)9-11-15/h3-11,17H,2,12-13H2,1H3,(H,22,24)(H,23,25)/t17-/m0/s1
InChIKeyKGCABZNTGFWEHZ-KRWDZBQOSA-N
MW420.85 g/mol
LogP2.27
Rot. Bonds9

About [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] (2S)-2-phenoxybutanoate

[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] (2S)-2-phenoxybutanoate (PubChem CID 7555599) has the molecular formula C20H21ClN2O6 and a molecular weight of 420.85 g/mol. Its IUPAC name is [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] (2S)-2-phenoxybutanoate.

Molecular Properties

Compound Name[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] (2S)-2-phenoxybutanoate
PubChem CID7555599
Molecular FormulaC20H21ClN2O6
Molecular Weight420.85 g/mol
Exact Mass420.11
IUPAC Name[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] (2S)-2-phenoxybutanoate
SMILESCC[C@H](Oc1ccccc1)C(=O)OCC(=O)NNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O6/c1-2-17(29-16-6-4-3-5-7-16)20(26)28-13-19(25)23-22-18(24)12-27-15-10-8-14(21)9-11-15/h3-11,17H,2,12-13H2,1H3,(H,22,24)(H,23,25)/t17-/m0/s1
InChIKeyKGCABZNTGFWEHZ-KRWDZBQOSA-N
XLogP2.27
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.85
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] (2S)-2-phenoxybutanoate 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

2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]butanehydrazide
CID 4929692
N'-[2-(4-chlorophenyl)acetyl]-2-phenoxybutanehydrazide
CID 4929839
[2-(benzylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate
CID 7555759
[2-(2-carbamoylanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate
CID 7233387
[2-(cyclopentylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate
CID 7233313
[2-(5-chloro-2-nitroanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate
CID 7229805
N'-[2-(4-methoxyphenoxy)acetyl]-2-(4-phenylphenoxy)butanehydrazide
CID 17073439
2-(4-chlorophenoxy)-N-[(1S)-1-phenylpropyl]acetamide
CID 30399638
[2-(4-ethylanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7233309
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7555744
2-(4-methylphenoxy)-N'-[2-(4-methylphenoxy)acetyl]butanehydrazide
CID 4950205
2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 4940013

Frequently Asked Questions

What is the IUPAC name of [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] (2S)-2-phenoxybutanoate?
The IUPAC name of [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] (2S)-2-phenoxybutanoate (CID 7555599) is [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] (2S)-2-phenoxybutanoate.
What is the SMILES notation for [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] (2S)-2-phenoxybutanoate?
The canonical SMILES for [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] (2S)-2-phenoxybutanoate is CC[C@H](Oc1ccccc1)C(=O)OCC(=O)NNC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] (2S)-2-phenoxybutanoate?
The InChIKey is KGCABZNTGFWEHZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21ClN2O6/c1-2-17(29-16-6-4-3-5-7-16)20(26)28-13-19(25)23-22-18(24)12-27-15-10-8-14(21)9-11-15/h3-11,17H,2,12-13H2,1H3,(H,22,24)(H,23,25)/t17-/m0/s1.
What are the key properties of [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] (2S)-2-phenoxybutanoate?
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] (2S)-2-phenoxybutanoate has a molecular weight of 420.85 g/mol, XLogP of 2.27, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] (2S)-2-phenoxybutanoate is sourced from PubChem (CID 7555599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).