N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide

C21H25ClN2O4 — CID 4953417

IUPACN'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide
SMILESCCc1ccc(OC(C)C(=O)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1
InChIInChI=1S/C21H25ClN2O4/c1-5-16-6-8-17(9-7-16)28-15(4)21(26)24-23-19(25)12-27-18-10-13(2)20(22)14(3)11-18/h6-11,15H,5,12H2,1-4H3,(H,23,25)(H,24,26)
InChIKeySFUKFTBKISMABR-UHFFFAOYSA-N
MW404.89 g/mol
LogP3.51
Rot. Bonds7

About N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide

N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide (PubChem CID 4953417) has the molecular formula C21H25ClN2O4 and a molecular weight of 404.89 g/mol. Its IUPAC name is N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide
PubChem CID4953417
Molecular FormulaC21H25ClN2O4
Molecular Weight404.89 g/mol
Exact Mass404.15
IUPAC NameN'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide
SMILESCCc1ccc(OC(C)C(=O)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1
InChIInChI=1S/C21H25ClN2O4/c1-5-16-6-8-17(9-7-16)28-15(4)21(26)24-23-19(25)12-27-18-10-13(2)20(22)14(3)11-18/h6-11,15H,5,12H2,1-4H3,(H,23,25)(H,24,26)
InChIKeySFUKFTBKISMABR-UHFFFAOYSA-N
XLogP3.51
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.89
LogP ≤ 53.51
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)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide
CID 9237851
(2R)-2-(4-ethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 9238118
(2S)-N'-[2-(4-ethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 9241096
(2R)-2-(4-ethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide
CID 9237786
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide
CID 17169378
(2S)-N'-[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]-2-(4-ethylphenoxy)propanehydrazide
CID 9238209
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(2-methoxyphenoxy)propanehydrazide
CID 4943310
(2R)-2-(4-ethylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 9237430
2-(2,3-dimethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 55341964
(2R)-N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-2-(4-ethylphenoxy)propanehydrazide
CID 9237453
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4952066
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 4953866

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide?
The IUPAC name of N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide (CID 4953417) is N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide.
What is the SMILES notation for N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide?
The canonical SMILES for N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide is CCc1ccc(OC(C)C(=O)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1.
What is the InChIKey of N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide?
The InChIKey is SFUKFTBKISMABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4/c1-5-16-6-8-17(9-7-16)28-15(4)21(26)24-23-19(25)12-27-18-10-13(2)20(22)14(3)11-18/h6-11,15H,5,12H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide?
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide has a molecular weight of 404.89 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide is sourced from PubChem (CID 4953417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).