2,2-dichloro-N-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]propanamide

C15H19Cl4N3O2 — CID 142632465

IUPAC2,2-dichloro-N-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]propanamide
SMILESCC(C)CC(NC(=O)C(C)(Cl)Cl)C(=O)NNc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl4N3O2/c1-8(2)6-12(20-14(24)15(3,18)19)13(23)22-21-11-5-4-9(16)7-10(11)17/h4-5,7-8,12,21H,6H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyWORXODIGJMPRAT-UHFFFAOYSA-N
MW415.15 g/mol
LogP4.16
Rot. Bonds7

About 2,2-dichloro-N-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]propanamide

2,2-dichloro-N-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]propanamide (PubChem CID 142632465) has the molecular formula C15H19Cl4N3O2 and a molecular weight of 415.15 g/mol. Its IUPAC name is 2,2-dichloro-N-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dichloro-N-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]propanamide
PubChem CID142632465
Molecular FormulaC15H19Cl4N3O2
Molecular Weight415.15 g/mol
Exact Mass413.02
IUPAC Name2,2-dichloro-N-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]propanamide
SMILESCC(C)CC(NC(=O)C(C)(Cl)Cl)C(=O)NNc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl4N3O2/c1-8(2)6-12(20-14(24)15(3,18)19)13(23)22-21-11-5-4-9(16)7-10(11)17/h4-5,7-8,12,21H,6H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyWORXODIGJMPRAT-UHFFFAOYSA-N
XLogP4.16
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.15
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 142632464
1-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-3-(2,6-difluorophenyl)urea
CID 142632468
1-cyclohexyl-3-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]urea
CID 142632462
2,2-dichloro-N-(2,4-dichlorophenyl)propanamide
CID 521736
2,4-dichloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52510980
2,4-dichloro-N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52990853
N-[1-(4-acetamido-3-chloroanilino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 46521328
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2,2-dimethylpropanamide
CID 42725016
N-(2,4-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide
CID 111798057
(2S)-N-(2,4-dichlorophenyl)-2-methylpentanamide
CID 884870
2,4-dichloro-N-[1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 78783255
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 40804285

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]propanamide?
The IUPAC name of 2,2-dichloro-N-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]propanamide (CID 142632465) is 2,2-dichloro-N-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]propanamide.
What is the SMILES notation for 2,2-dichloro-N-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]propanamide?
The canonical SMILES for 2,2-dichloro-N-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]propanamide is CC(C)CC(NC(=O)C(C)(Cl)Cl)C(=O)NNc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,2-dichloro-N-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]propanamide?
The InChIKey is WORXODIGJMPRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl4N3O2/c1-8(2)6-12(20-14(24)15(3,18)19)13(23)22-21-11-5-4-9(16)7-10(11)17/h4-5,7-8,12,21H,6H2,1-3H3,(H,20,24)(H,22,23).
What are the key properties of 2,2-dichloro-N-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]propanamide?
2,2-dichloro-N-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]propanamide has a molecular weight of 415.15 g/mol, XLogP of 4.16, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]propanamide is sourced from PubChem (CID 142632465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).