N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(4-fluorophenyl)cyclopentane-1-carbohydrazide

C22H25FN2O3 — CID 55333177

IUPACN'-[2-(2,5-dimethylphenoxy)acetyl]-1-(4-fluorophenyl)cyclopentane-1-carbohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)C2(c3ccc(F)cc3)CCCC2)c1
InChIInChI=1S/C22H25FN2O3/c1-15-5-6-16(2)19(13-15)28-14-20(26)24-25-21(27)22(11-3-4-12-22)17-7-9-18(23)10-8-17/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyYMGNZKKGIDTSLB-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.48
Rot. Bonds5

About N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(4-fluorophenyl)cyclopentane-1-carbohydrazide

N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(4-fluorophenyl)cyclopentane-1-carbohydrazide (PubChem CID 55333177) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(4-fluorophenyl)cyclopentane-1-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dimethylphenoxy)acetyl]-1-(4-fluorophenyl)cyclopentane-1-carbohydrazide
PubChem CID55333177
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC NameN'-[2-(2,5-dimethylphenoxy)acetyl]-1-(4-fluorophenyl)cyclopentane-1-carbohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)C2(c3ccc(F)cc3)CCCC2)c1
InChIInChI=1S/C22H25FN2O3/c1-15-5-6-16(2)19(13-15)28-14-20(26)24-25-21(27)22(11-3-4-12-22)17-7-9-18(23)10-8-17/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyYMGNZKKGIDTSLB-UHFFFAOYSA-N
XLogP3.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.48
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-(2,5-dimethylphenoxy)acetyl]-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carbohydrazide
CID 55464674
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-fluorophenoxy)acetohydrazide
CID 7943429
N'-[2-(3,5-dimethylphenoxy)acetyl]-1-(3-fluorophenyl)cyclopentane-1-carbohydrazide
CID 36855400
[2-(2,5-dimethylanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866428
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
2-(2,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 35728477
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide
CID 27568831
N'-[2-(2,5-dimethylphenoxy)acetyl]-2,3,4,5-tetrafluorobenzohydrazide
CID 3442692
2-(2,5-dimethylphenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide
CID 916660
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100665172
N-(4-butoxy-3-methylphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100664950

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(4-fluorophenyl)cyclopentane-1-carbohydrazide?
The IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(4-fluorophenyl)cyclopentane-1-carbohydrazide (CID 55333177) is N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(4-fluorophenyl)cyclopentane-1-carbohydrazide.
What is the SMILES notation for N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(4-fluorophenyl)cyclopentane-1-carbohydrazide?
The canonical SMILES for N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(4-fluorophenyl)cyclopentane-1-carbohydrazide is Cc1ccc(C)c(OCC(=O)NNC(=O)C2(c3ccc(F)cc3)CCCC2)c1.
What is the InChIKey of N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(4-fluorophenyl)cyclopentane-1-carbohydrazide?
The InChIKey is YMGNZKKGIDTSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-15-5-6-16(2)19(13-15)28-14-20(26)24-25-21(27)22(11-3-4-12-22)17-7-9-18(23)10-8-17/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(4-fluorophenyl)cyclopentane-1-carbohydrazide?
N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(4-fluorophenyl)cyclopentane-1-carbohydrazide has a molecular weight of 384.45 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(4-fluorophenyl)cyclopentane-1-carbohydrazide is sourced from PubChem (CID 55333177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).