N'-[2-(2-chlorophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide

C21H25ClN2O3 — CID 54782216

IUPACN'-[2-(2-chlorophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
SMILESCC(C)Cc1ccc(C(C)C(=O)NNC(=O)COc2ccccc2Cl)cc1
InChIInChI=1S/C21H25ClN2O3/c1-14(2)12-16-8-10-17(11-9-16)15(3)21(26)24-23-20(25)13-27-19-7-5-4-6-18(19)22/h4-11,14-15H,12-13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyUCYMUOCITKJVGP-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.87
Rot. Bonds7

About N'-[2-(2-chlorophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide

N'-[2-(2-chlorophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide (PubChem CID 54782216) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is N'-[2-(2-chlorophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-chlorophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
PubChem CID54782216
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC NameN'-[2-(2-chlorophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
SMILESCC(C)Cc1ccc(C(C)C(=O)NNC(=O)COc2ccccc2Cl)cc1
InChIInChI=1S/C21H25ClN2O3/c1-14(2)12-16-8-10-17(11-9-16)15(3)21(26)24-23-20(25)13-27-19-7-5-4-6-18(19)22/h4-11,14-15H,12-13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyUCYMUOCITKJVGP-UHFFFAOYSA-N
XLogP3.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782133
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782220
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782147
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782202
2-(2-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]propanehydrazide
CID 4932286
N'-[2-(4-bromophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782165
N'-(3-ethoxypropanoyl)-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782231
(3R)-N'-[2-(2-chlorophenoxy)acetyl]-3-phenylbutanehydrazide
CID 7978293
2-(2-hydroxyphenoxy)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 78771813
2-(2-chlorophenoxy)-N-hydroxyacetamide
CID 95562486
2-(2-methoxyphenoxy)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 2608512
(E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(4-propan-2-ylphenyl)prop-2-enehydrazide
CID 9470192

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chlorophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide?
The IUPAC name of N'-[2-(2-chlorophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide (CID 54782216) is N'-[2-(2-chlorophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide.
What is the SMILES notation for N'-[2-(2-chlorophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide?
The canonical SMILES for N'-[2-(2-chlorophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide is CC(C)Cc1ccc(C(C)C(=O)NNC(=O)COc2ccccc2Cl)cc1.
What is the InChIKey of N'-[2-(2-chlorophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide?
The InChIKey is UCYMUOCITKJVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-14(2)12-16-8-10-17(11-9-16)15(3)21(26)24-23-20(25)13-27-19-7-5-4-6-18(19)22/h4-11,14-15H,12-13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(2-chlorophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide?
N'-[2-(2-chlorophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide has a molecular weight of 388.90 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chlorophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide is sourced from PubChem (CID 54782216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).