N-(3-chloro-2-methylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide

C25H40ClN3O3 — CID 54791904

IUPACN-(3-chloro-2-methylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
SMILESCCCCCCCCCCCCCC(=O)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C25H40ClN3O3/c1-3-4-5-6-7-8-9-10-11-12-13-17-24(31)28-29-25(32)19-18-23(30)27-22-16-14-15-21(26)20(22)2/h14-16H,3-13,17-19H2,1-2H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyDAWGOAPDHOCTQE-UHFFFAOYSA-N
MW466.07 g/mol
LogP6.22
Rot. Bonds16

About N-(3-chloro-2-methylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide

N-(3-chloro-2-methylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide (PubChem CID 54791904) has the molecular formula C25H40ClN3O3 and a molecular weight of 466.07 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
PubChem CID54791904
Molecular FormulaC25H40ClN3O3
Molecular Weight466.07 g/mol
Exact Mass465.28
IUPAC NameN-(3-chloro-2-methylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
SMILESCCCCCCCCCCCCCC(=O)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C25H40ClN3O3/c1-3-4-5-6-7-8-9-10-11-12-13-17-24(31)28-29-25(32)19-18-23(30)27-22-16-14-15-21(26)20(22)2/h14-16H,3-13,17-19H2,1-2H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyDAWGOAPDHOCTQE-UHFFFAOYSA-N
XLogP6.22
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.07
LogP ≤ 56.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
6-amino-N-(3-chloro-2-methylphenyl)hexanamide
CID 24711595
6-(3-chloro-2-methylanilino)-6-oxohexanoic acid
CID 43529460
N-(2-chlorophenyl)octanamide
CID 2292983
N-(3-chloro-2-methylphenyl)-3-(pentylamino)propanamide
CID 109032256
N-(2,3-dimethylphenyl)dodecanamide
CID 4198682
N-(3-hydroxy-2-methylphenyl)decanamide
CID 65426726
N-(2-chlorophenyl)hexanamide
CID 4644560
4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 3511916
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]hexanamide
CID 54815058

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide (CID 54791904) is N-(3-chloro-2-methylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide is CCCCCCCCCCCCCC(=O)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide?
The InChIKey is DAWGOAPDHOCTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40ClN3O3/c1-3-4-5-6-7-8-9-10-11-12-13-17-24(31)28-29-25(32)19-18-23(30)27-22-16-14-15-21(26)20(22)2/h14-16H,3-13,17-19H2,1-2H3,(H,27,30)(H,28,31)(H,29,32).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide?
N-(3-chloro-2-methylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide has a molecular weight of 466.07 g/mol, XLogP of 6.22, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide is sourced from PubChem (CID 54791904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).