N,N-dimethyl-4-oxo-4-[2-[4-(trifluoromethyl)benzoyl]hydrazinyl]butanamide

C14H16F3N3O3 — CID 4665979

IUPACN,N-dimethyl-4-oxo-4-[2-[4-(trifluoromethyl)benzoyl]hydrazinyl]butanamide
SMILESCN(C)C(=O)CCC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3O3/c1-20(2)12(22)8-7-11(21)18-19-13(23)9-3-5-10(6-4-9)14(15,16)17/h3-6H,7-8H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyHCAUZIWCGDAZMD-UHFFFAOYSA-N
MW331.29 g/mol
LogP1.33
Rot. Bonds4

About N,N-dimethyl-4-oxo-4-[2-[4-(trifluoromethyl)benzoyl]hydrazinyl]butanamide

N,N-dimethyl-4-oxo-4-[2-[4-(trifluoromethyl)benzoyl]hydrazinyl]butanamide (PubChem CID 4665979) has the molecular formula C14H16F3N3O3 and a molecular weight of 331.29 g/mol. Its IUPAC name is N,N-dimethyl-4-oxo-4-[2-[4-(trifluoromethyl)benzoyl]hydrazinyl]butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-oxo-4-[2-[4-(trifluoromethyl)benzoyl]hydrazinyl]butanamide
PubChem CID4665979
Molecular FormulaC14H16F3N3O3
Molecular Weight331.29 g/mol
Exact Mass331.11
IUPAC NameN,N-dimethyl-4-oxo-4-[2-[4-(trifluoromethyl)benzoyl]hydrazinyl]butanamide
SMILESCN(C)C(=O)CCC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3O3/c1-20(2)12(22)8-7-11(21)18-19-13(23)9-3-5-10(6-4-9)14(15,16)17/h3-6H,7-8H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyHCAUZIWCGDAZMD-UHFFFAOYSA-N
XLogP1.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-4-oxo-4-[2-[4-(trifluoromethyl)benzoyl]hydrazinyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
CID 55786703
1-N',6-N'-bis(4-tert-butylbenzoyl)hexanedihydrazide
CID 4209045
N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
CID 2548088
N'-tert-butyl-4-(trifluoromethyl)benzohydrazide
CID 141237629
N'-[2-(2-methylphenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
CID 8696577
N'-(2-thiophen-2-ylacetyl)-4-(trifluoromethyl)benzohydrazide
CID 3327073
1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide
CID 3140699
tert-butyl N-[[4-(trifluoromethyl)benzoyl]amino]carbamate
CID 11449558
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 7838369
N'-(4,4,4-trifluorobutanoyl)benzohydrazide
CID 171757992
N'-[2-(2-fluorophenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
CID 7601146
4-ethoxy-N'-[2-(2,2,2-trifluoroethoxy)acetyl]benzohydrazide
CID 86990376

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-oxo-4-[2-[4-(trifluoromethyl)benzoyl]hydrazinyl]butanamide?
The IUPAC name of N,N-dimethyl-4-oxo-4-[2-[4-(trifluoromethyl)benzoyl]hydrazinyl]butanamide (CID 4665979) is N,N-dimethyl-4-oxo-4-[2-[4-(trifluoromethyl)benzoyl]hydrazinyl]butanamide.
What is the SMILES notation for N,N-dimethyl-4-oxo-4-[2-[4-(trifluoromethyl)benzoyl]hydrazinyl]butanamide?
The canonical SMILES for N,N-dimethyl-4-oxo-4-[2-[4-(trifluoromethyl)benzoyl]hydrazinyl]butanamide is CN(C)C(=O)CCC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N,N-dimethyl-4-oxo-4-[2-[4-(trifluoromethyl)benzoyl]hydrazinyl]butanamide?
The InChIKey is HCAUZIWCGDAZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O3/c1-20(2)12(22)8-7-11(21)18-19-13(23)9-3-5-10(6-4-9)14(15,16)17/h3-6H,7-8H2,1-2H3,(H,18,21)(H,19,23).
What are the key properties of N,N-dimethyl-4-oxo-4-[2-[4-(trifluoromethyl)benzoyl]hydrazinyl]butanamide?
N,N-dimethyl-4-oxo-4-[2-[4-(trifluoromethyl)benzoyl]hydrazinyl]butanamide has a molecular weight of 331.29 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-oxo-4-[2-[4-(trifluoromethyl)benzoyl]hydrazinyl]butanamide is sourced from PubChem (CID 4665979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).