N'-[2-(4-ethylphenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide

C20H21FN2O4 — CID 9472118

IUPACN'-[2-(4-ethylphenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)CCC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H21FN2O4/c1-2-14-3-9-17(10-4-14)27-13-20(26)23-22-19(25)12-11-18(24)15-5-7-16(21)8-6-15/h3-10H,2,11-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyDKBCGXVEMFWIOE-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.58
Rot. Bonds8

About N'-[2-(4-ethylphenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide

N'-[2-(4-ethylphenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide (PubChem CID 9472118) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is N'-[2-(4-ethylphenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-ethylphenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide
PubChem CID9472118
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC NameN'-[2-(4-ethylphenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)CCC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H21FN2O4/c1-2-14-3-9-17(10-4-14)27-13-20(26)23-22-19(25)12-11-18(24)15-5-7-16(21)8-6-15/h3-10H,2,11-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyDKBCGXVEMFWIOE-UHFFFAOYSA-N
XLogP2.58
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.58
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

1-N',6-N'-bis[2-(4-ethylphenoxy)acetyl]hexanedihydrazide
CID 3385883
4-fluoro-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
CID 7946133
N-(4-ethylphenyl)-2-(4-fluorophenoxy)acetamide
CID 893586
N'-[2-(2-fluorophenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide
CID 9471970
N'-[2-(4-fluorophenoxy)acetyl]-3-(4-methoxyphenyl)propanehydrazide
CID 26929871
3-ethoxy-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 17357896
2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561037
N'-[2-(4-ethylphenoxy)acetyl]-4-(trifluoromethoxy)benzohydrazide
CID 2090675
2-(4-ethylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561038
4-(4-ethylphenyl)-4-oxo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide
CID 31165478
N'-[2-(2,6-dimethylphenoxy)acetyl]-4-(4-ethoxyphenyl)-4-oxobutanehydrazide
CID 4816885
N'-[2-(4-ethylphenoxy)acetyl]-2-(4-methylphenyl)acetohydrazide
CID 9324281

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-ethylphenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide?
The IUPAC name of N'-[2-(4-ethylphenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide (CID 9472118) is N'-[2-(4-ethylphenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide.
What is the SMILES notation for N'-[2-(4-ethylphenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide?
The canonical SMILES for N'-[2-(4-ethylphenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide is CCc1ccc(OCC(=O)NNC(=O)CCC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N'-[2-(4-ethylphenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide?
The InChIKey is DKBCGXVEMFWIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-2-14-3-9-17(10-4-14)27-13-20(26)23-22-19(25)12-11-18(24)15-5-7-16(21)8-6-15/h3-10H,2,11-13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N'-[2-(4-ethylphenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide?
N'-[2-(4-ethylphenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide has a molecular weight of 372.40 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-ethylphenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide is sourced from PubChem (CID 9472118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).