N-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2,2,3,3,4,4,4-heptafluorobutanamide

C16H16Cl2F7N3O2 — CID 142632464

IUPACN-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCC(C)CC(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NNc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2F7N3O2/c1-7(2)5-11(12(29)28-27-10-4-3-8(17)6-9(10)18)26-13(30)14(19,20)15(21,22)16(23,24)25/h3-4,6-7,11,27H,5H2,1-2H3,(H,26,30)(H,28,29)
InChIKeyJENNECYGYFGGIG-UHFFFAOYSA-N
MW486.22 g/mol
LogP4.80
Rot. Bonds8

About N-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2,2,3,3,4,4,4-heptafluorobutanamide

N-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 142632464) has the molecular formula C16H16Cl2F7N3O2 and a molecular weight of 486.22 g/mol. Its IUPAC name is N-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID142632464
Molecular FormulaC16H16Cl2F7N3O2
Molecular Weight486.22 g/mol
Exact Mass485.05
IUPAC NameN-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCC(C)CC(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NNc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2F7N3O2/c1-7(2)5-11(12(29)28-27-10-4-3-8(17)6-9(10)18)26-13(30)14(19,20)15(21,22)16(23,24)25/h3-4,6-7,11,27H,5H2,1-2H3,(H,26,30)(H,28,29)
InChIKeyJENNECYGYFGGIG-UHFFFAOYSA-N
XLogP4.80
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.22
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-N-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]propanamide
CID 142632465
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
N-[4-chloro-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 91725178
N-(2,4-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide
CID 111798057
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
(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
2,4-dichloro-N-[1-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 60602985

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2,2,3,3,4,4,4-heptafluorobutanamide (CID 142632464) is N-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2,2,3,3,4,4,4-heptafluorobutanamide is CC(C)CC(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NNc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is JENNECYGYFGGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2F7N3O2/c1-7(2)5-11(12(29)28-27-10-4-3-8(17)6-9(10)18)26-13(30)14(19,20)15(21,22)16(23,24)25/h3-4,6-7,11,27H,5H2,1-2H3,(H,26,30)(H,28,29).
What are the key properties of N-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2,2,3,3,4,4,4-heptafluorobutanamide?
N-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 486.22 g/mol, XLogP of 4.80, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 142632464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).