N'-[2-(2-chlorophenoxy)acetyl]-4-oxo-4-(4-propoxyphenyl)butanehydrazide

C21H23ClN2O5 — CID 7978312

IUPACN'-[2-(2-chlorophenoxy)acetyl]-4-oxo-4-(4-propoxyphenyl)butanehydrazide
SMILESCCCOc1ccc(C(=O)CCC(=O)NNC(=O)COc2ccccc2Cl)cc1
InChIInChI=1S/C21H23ClN2O5/c1-2-13-28-16-9-7-15(8-10-16)18(25)11-12-20(26)23-24-21(27)14-29-19-6-4-3-5-17(19)22/h3-10H,2,11-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyDKQLUYUFFFZKBT-UHFFFAOYSA-N
MW418.88 g/mol
LogP3.32
Rot. Bonds10

About N'-[2-(2-chlorophenoxy)acetyl]-4-oxo-4-(4-propoxyphenyl)butanehydrazide

N'-[2-(2-chlorophenoxy)acetyl]-4-oxo-4-(4-propoxyphenyl)butanehydrazide (PubChem CID 7978312) has the molecular formula C21H23ClN2O5 and a molecular weight of 418.88 g/mol. Its IUPAC name is N'-[2-(2-chlorophenoxy)acetyl]-4-oxo-4-(4-propoxyphenyl)butanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-chlorophenoxy)acetyl]-4-oxo-4-(4-propoxyphenyl)butanehydrazide
PubChem CID7978312
Molecular FormulaC21H23ClN2O5
Molecular Weight418.88 g/mol
Exact Mass418.13
IUPAC NameN'-[2-(2-chlorophenoxy)acetyl]-4-oxo-4-(4-propoxyphenyl)butanehydrazide
SMILESCCCOc1ccc(C(=O)CCC(=O)NNC(=O)COc2ccccc2Cl)cc1
InChIInChI=1S/C21H23ClN2O5/c1-2-13-28-16-9-7-15(8-10-16)18(25)11-12-20(26)23-24-21(27)14-29-19-6-4-3-5-17(19)22/h3-10H,2,11-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyDKQLUYUFFFZKBT-UHFFFAOYSA-N
XLogP3.32
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N'-[4-oxo-4-(4-propoxyphenyl)butanoyl]benzohydrazide
CID 9220935
2-(4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 3372388
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propoxybenzohydrazide
CID 4938584
N'-[2-(2-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 2561230
N-[2-(2-methoxyphenoxy)ethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 38451172
N-benzyl-4-oxo-4-(4-propoxyphenyl)butanamide
CID 7779404
4-hexoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 46423810
N'-(2-naphthalen-1-yloxyacetyl)-4-propoxybenzohydrazide
CID 4938673
4-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 3394735
N-(2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 9413945
N'-[2-(2-fluorophenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide
CID 9471970
N'-[2-(4-ethylphenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide
CID 9472118

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chlorophenoxy)acetyl]-4-oxo-4-(4-propoxyphenyl)butanehydrazide?
The IUPAC name of N'-[2-(2-chlorophenoxy)acetyl]-4-oxo-4-(4-propoxyphenyl)butanehydrazide (CID 7978312) is N'-[2-(2-chlorophenoxy)acetyl]-4-oxo-4-(4-propoxyphenyl)butanehydrazide.
What is the SMILES notation for N'-[2-(2-chlorophenoxy)acetyl]-4-oxo-4-(4-propoxyphenyl)butanehydrazide?
The canonical SMILES for N'-[2-(2-chlorophenoxy)acetyl]-4-oxo-4-(4-propoxyphenyl)butanehydrazide is CCCOc1ccc(C(=O)CCC(=O)NNC(=O)COc2ccccc2Cl)cc1.
What is the InChIKey of N'-[2-(2-chlorophenoxy)acetyl]-4-oxo-4-(4-propoxyphenyl)butanehydrazide?
The InChIKey is DKQLUYUFFFZKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O5/c1-2-13-28-16-9-7-15(8-10-16)18(25)11-12-20(26)23-24-21(27)14-29-19-6-4-3-5-17(19)22/h3-10H,2,11-14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N'-[2-(2-chlorophenoxy)acetyl]-4-oxo-4-(4-propoxyphenyl)butanehydrazide?
N'-[2-(2-chlorophenoxy)acetyl]-4-oxo-4-(4-propoxyphenyl)butanehydrazide has a molecular weight of 418.88 g/mol, XLogP of 3.32, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chlorophenoxy)acetyl]-4-oxo-4-(4-propoxyphenyl)butanehydrazide is sourced from PubChem (CID 7978312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).