4-tert-butyl-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide

C22H26FN3O4 — CID 4790897

IUPAC4-tert-butyl-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCC(=O)NNC(=O)COc2ccccc2F)cc1
InChIInChI=1S/C22H26FN3O4/c1-22(2,3)16-10-8-15(9-11-16)21(29)24-13-12-19(27)25-26-20(28)14-30-18-7-5-4-6-17(18)23/h4-11H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyDTUBFJCKXUADDV-UHFFFAOYSA-N
MW415.47 g/mol
LogP2.47
Rot. Bonds7

About 4-tert-butyl-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide

4-tert-butyl-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide (PubChem CID 4790897) has the molecular formula C22H26FN3O4 and a molecular weight of 415.47 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
PubChem CID4790897
Molecular FormulaC22H26FN3O4
Molecular Weight415.47 g/mol
Exact Mass415.19
IUPAC Name4-tert-butyl-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCC(=O)NNC(=O)COc2ccccc2F)cc1
InChIInChI=1S/C22H26FN3O4/c1-22(2,3)16-10-8-15(9-11-16)21(29)24-13-12-19(27)25-26-20(28)14-30-18-7-5-4-6-17(18)23/h4-11H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyDTUBFJCKXUADDV-UHFFFAOYSA-N
XLogP2.47
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 2222870
4-tert-butyl-N-(2-phenoxyethyl)benzamide
CID 2244662
4-tert-butyl-N-{[2-(phenoxyacetyl)hydrazino]carbothioyl}benzamide
CID 1790476
4-bromo-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 4788595
4-tert-butyl-N-[3-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 4791427
N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 4846808
4-tert-butyl-N-[2-(2-fluorophenoxy)ethyl]benzamide
CID 609289
2-[4-(4-fluorobenzoyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 2564956
4-tert-butyl-N-(4-ethoxybenzyl)benzamide
CID 17639891
2-fluoro-N-[2-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-2-oxoethyl]benzamide
CID 2454697
2-(4-acetylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 2621367
N-[3-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 4787901

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide (CID 4790897) is 4-tert-butyl-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide is CC(C)(C)c1ccc(C(=O)NCCC(=O)NNC(=O)COc2ccccc2F)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide?
The InChIKey is DTUBFJCKXUADDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O4/c1-22(2,3)16-10-8-15(9-11-16)21(29)24-13-12-19(27)25-26-20(28)14-30-18-7-5-4-6-17(18)23/h4-11H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28).
What are the key properties of 4-tert-butyl-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide?
4-tert-butyl-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide has a molecular weight of 415.47 g/mol, XLogP of 2.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide is sourced from PubChem (CID 4790897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).