N-(2,4-difluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide

C19H18F3N3O2 — CID 108950727

IUPACN-(2,4-difluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
SMILESO=C(CC(=O)N1CCN(c2ccccc2F)CC1)Nc1ccc(F)cc1F
InChIInChI=1S/C19H18F3N3O2/c20-13-5-6-16(15(22)11-13)23-18(26)12-19(27)25-9-7-24(8-10-25)17-4-2-1-3-14(17)21/h1-6,11H,7-10,12H2,(H,23,26)
InChIKeyLRZZWMWZKPABGK-UHFFFAOYSA-N
MW377.37 g/mol
LogP2.78
Rot. Bonds4

About N-(2,4-difluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide

N-(2,4-difluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide (PubChem CID 108950727) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
PubChem CID108950727
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC NameN-(2,4-difluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
SMILESO=C(CC(=O)N1CCN(c2ccccc2F)CC1)Nc1ccc(F)cc1F
InChIInChI=1S/C19H18F3N3O2/c20-13-5-6-16(15(22)11-13)23-18(26)12-19(27)25-9-7-24(8-10-25)17-4-2-1-3-14(17)21/h1-6,11H,7-10,12H2,(H,23,26)
InChIKeyLRZZWMWZKPABGK-UHFFFAOYSA-N
XLogP2.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,4-difluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide 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

N-(2,4-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902220
N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950699
N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950686
3-(4-benzylpiperazin-1-yl)-N-(2,4-difluorophenyl)-3-oxopropanamide
CID 108949367
N-(2,3-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950685
N-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108952804
N-(2,4-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 27869266
1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 113079899
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)-3-oxopropanamide
CID 108941605
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-morpholin-4-ylpropane-1,3-dione
CID 108943475
4-(2-cyanophenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 3758236
N-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108942414

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide (CID 108950727) is N-(2,4-difluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide is O=C(CC(=O)N1CCN(c2ccccc2F)CC1)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide?
The InChIKey is LRZZWMWZKPABGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c20-13-5-6-16(15(22)11-13)23-18(26)12-19(27)25-9-7-24(8-10-25)17-4-2-1-3-14(17)21/h1-6,11H,7-10,12H2,(H,23,26).
What are the key properties of N-(2,4-difluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide?
N-(2,4-difluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide has a molecular weight of 377.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide is sourced from PubChem (CID 108950727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).