4-tert-butyl-N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]benzamide

C21H24ClN3O3 — CID 26657294

IUPAC4-tert-butyl-N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H24ClN3O3/c1-21(2,3)16-8-6-15(7-9-16)20(28)23-13-19(27)25-24-18(26)12-14-4-10-17(22)11-5-14/h4-11H,12-13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)
InChIKeyFKQZNIFIOLUKSX-UHFFFAOYSA-N
MW401.89 g/mol
LogP2.76
Rot. Bonds5

About 4-tert-butyl-N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]benzamide

4-tert-butyl-N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 26657294) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID26657294
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC Name4-tert-butyl-N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H24ClN3O3/c1-21(2,3)16-8-6-15(7-9-16)20(28)23-13-19(27)25-24-18(26)12-14-4-10-17(22)11-5-14/h4-11H,12-13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)
InChIKeyFKQZNIFIOLUKSX-UHFFFAOYSA-N
XLogP2.76
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 52.76
H-Bond Donors ≤ 53
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-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide
CID 34572785
N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-3-chlorobenzamide
CID 24634953
N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
CID 4936719
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-4-chlorobenzamide
CID 9414874
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 4785068
N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-4-chloropyridine-2-carboxamide
CID 9327506
N-[(4-tert-butylphenyl)methyl]-2-(4-chloroanilino)acetamide
CID 68695951
4-tert-butyl-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 795496
4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577854
N-[2-(2-tert-butylanilino)-2-oxoethyl]-4-chlorobenzamide
CID 112997506
4-chloro-N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide
CID 83031853
4-chloro-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 792434

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]benzamide (CID 26657294) is 4-tert-butyl-N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]benzamide is CC(C)(C)c1ccc(C(=O)NCC(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is FKQZNIFIOLUKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c1-21(2,3)16-8-6-15(7-9-16)20(28)23-13-19(27)25-24-18(26)12-14-4-10-17(22)11-5-14/h4-11H,12-13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27).
What are the key properties of 4-tert-butyl-N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]benzamide?
4-tert-butyl-N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 401.89 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 26657294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).