2-(4-chlorophenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide

C20H23ClN2O4 — CID 4944112

IUPAC2-(4-chlorophenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NNC(=O)COc1ccccc1C(C)C
InChIInChI=1S/C20H23ClN2O4/c1-13(2)17-6-4-5-7-18(17)26-12-19(24)22-23-20(25)14(3)27-16-10-8-15(21)9-11-16/h4-11,13-14H,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyPJIZGTXAUOPGHY-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.46
Rot. Bonds7

About 2-(4-chlorophenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide

2-(4-chlorophenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide (PubChem CID 4944112) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide
PubChem CID4944112
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC Name2-(4-chlorophenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NNC(=O)COc1ccccc1C(C)C
InChIInChI=1S/C20H23ClN2O4/c1-13(2)17-6-4-5-7-18(17)26-12-19(24)22-23-20(25)14(3)27-16-10-8-15(21)9-11-16/h4-11,13-14H,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyPJIZGTXAUOPGHY-UHFFFAOYSA-N
XLogP3.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-ethylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 9237430
2-(2-chlorophenoxy)-N'-[2-(4-chlorophenoxy)acetyl]propanehydrazide
CID 4932195
(2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 40611223
(2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 7927413
(2S)-2-(2,6-dimethylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 9297781
N'-[2-(2-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 4953840
(2R)-N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-2-(4-ethylphenoxy)propanehydrazide
CID 9237453
(2S)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 9241041
(2R)-N'-[2-(2-fluorophenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7927377
2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 4940013
(2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7927374
2-(2-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]propanehydrazide
CID 4932286

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide?
The IUPAC name of 2-(4-chlorophenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide (CID 4944112) is 2-(4-chlorophenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide?
The canonical SMILES for 2-(4-chlorophenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide is CC(Oc1ccc(Cl)cc1)C(=O)NNC(=O)COc1ccccc1C(C)C.
What is the InChIKey of 2-(4-chlorophenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide?
The InChIKey is PJIZGTXAUOPGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-13(2)17-6-4-5-7-18(17)26-12-19(24)22-23-20(25)14(3)27-16-10-8-15(21)9-11-16/h4-11,13-14H,12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 2-(4-chlorophenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide?
2-(4-chlorophenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide has a molecular weight of 390.87 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide is sourced from PubChem (CID 4944112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).