2-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N,N-dimethyl-4-oxobutanamide

C19H17F2NO3 — CID 11210135

IUPAC2-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N,N-dimethyl-4-oxobutanamide
SMILESCN(C)C(=O)C(CC(=O)c1ccc(F)cc1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C19H17F2NO3/c1-22(2)19(25)16(18(24)13-5-9-15(21)10-6-13)11-17(23)12-3-7-14(20)8-4-12/h3-10,16H,11H2,1-2H3
InChIKeySCKGXPRRUZSCCE-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.12
Rot. Bonds6

About 2-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N,N-dimethyl-4-oxobutanamide

2-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N,N-dimethyl-4-oxobutanamide (PubChem CID 11210135) has the molecular formula C19H17F2NO3 and a molecular weight of 345.35 g/mol. Its IUPAC name is 2-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N,N-dimethyl-4-oxobutanamide.

Molecular Properties

Compound Name2-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N,N-dimethyl-4-oxobutanamide
PubChem CID11210135
Molecular FormulaC19H17F2NO3
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name2-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N,N-dimethyl-4-oxobutanamide
SMILESCN(C)C(=O)C(CC(=O)c1ccc(F)cc1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C19H17F2NO3/c1-22(2)19(25)16(18(24)13-5-9-15(21)10-6-13)11-17(23)12-3-7-14(20)8-4-12/h3-10,16H,11H2,1-2H3
InChIKeySCKGXPRRUZSCCE-UHFFFAOYSA-N
XLogP3.12
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N,N-dimethyl-4-oxobutanamide 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

methyl 2-(4-fluorobenzoyl)-4-(4-fluorophenyl)-4-oxobutanoate
CID 101230887
3-[1-(4-fluorophenyl)-3-(4-methylphenyl)-3-oxopropyl]-1,1-dimethylurea
CID 52952445
2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 43794816
4-[4-(4-fluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid
CID 24835772
3-[2,2-difluoroethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 84597537
1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 60649629
1-(4-fluorophenyl)-2-methylpentane-1,4-dione
CID 64720461
(2S)-1-(4-fluorophenyl)-2,3-dimethylbutan-1-one
CID 143361678
1-(4-fluorophenyl)-4-[methyl(2-methylpropyl)amino]butan-1-one
CID 43792985
2-[2-[4-(4-fluorophenyl)phenyl]-2-oxoethyl]-4-methylpentanoic acid
CID 139887967
[(2S)-1-(4-fluorophenyl)-1-oxobutan-2-yl]azanium
CID 6940475
1-(4-fluorophenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
CID 60891207

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N,N-dimethyl-4-oxobutanamide?
The IUPAC name of 2-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N,N-dimethyl-4-oxobutanamide (CID 11210135) is 2-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N,N-dimethyl-4-oxobutanamide.
What is the SMILES notation for 2-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N,N-dimethyl-4-oxobutanamide?
The canonical SMILES for 2-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N,N-dimethyl-4-oxobutanamide is CN(C)C(=O)C(CC(=O)c1ccc(F)cc1)C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N,N-dimethyl-4-oxobutanamide?
The InChIKey is SCKGXPRRUZSCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO3/c1-22(2)19(25)16(18(24)13-5-9-15(21)10-6-13)11-17(23)12-3-7-14(20)8-4-12/h3-10,16H,11H2,1-2H3.
What are the key properties of 2-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N,N-dimethyl-4-oxobutanamide?
2-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N,N-dimethyl-4-oxobutanamide has a molecular weight of 345.35 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N,N-dimethyl-4-oxobutanamide is sourced from PubChem (CID 11210135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).