N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-3-chlorobenzamide

C20H22ClN3O3 — CID 24634953

IUPACN-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-3-chlorobenzamide
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C20H22ClN3O3/c1-20(2,3)15-9-7-13(8-10-15)19(27)24-23-17(25)12-22-18(26)14-5-4-6-16(21)11-14/h4-11H,12H2,1-3H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyWPVJSQUIIGSSCA-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.83
Rot. Bonds4

About N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-3-chlorobenzamide

N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-3-chlorobenzamide (PubChem CID 24634953) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-3-chlorobenzamide
PubChem CID24634953
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC NameN-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-3-chlorobenzamide
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C20H22ClN3O3/c1-20(2,3)15-9-7-13(8-10-15)19(27)24-23-17(25)12-22-18(26)14-5-4-6-16(21)11-14/h4-11H,12H2,1-3H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyWPVJSQUIIGSSCA-UHFFFAOYSA-N
XLogP2.83
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.83
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-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-4-chloropyridine-2-carboxamide
CID 9327506
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-4-chlorobenzamide
CID 9414874
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-chlorobenzamide
CID 24637788
4-tert-butyl-N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]benzamide
CID 26657294
3-chloro-N-[2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]benzamide
CID 103933438
methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide
CID 110291527
4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide
CID 113001418
3-chloro-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide
CID 27134177
(2R)-2-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]propanoic acid
CID 54991487
3-chloro-N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]benzamide
CID 109380818
N'-tert-butyl-3-chlorobenzohydrazide
CID 15617772

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-3-chlorobenzamide?
The IUPAC name of N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-3-chlorobenzamide (CID 24634953) is N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-3-chlorobenzamide.
What is the SMILES notation for N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-3-chlorobenzamide?
The canonical SMILES for N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-3-chlorobenzamide is CC(C)(C)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-3-chlorobenzamide?
The InChIKey is WPVJSQUIIGSSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-20(2,3)15-9-7-13(8-10-15)19(27)24-23-17(25)12-22-18(26)14-5-4-6-16(21)11-14/h4-11H,12H2,1-3H3,(H,22,26)(H,23,25)(H,24,27).
What are the key properties of N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-3-chlorobenzamide?
N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-3-chlorobenzamide has a molecular weight of 387.87 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-3-chlorobenzamide is sourced from PubChem (CID 24634953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).