2,4-dichloro-N-[2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide

C21H21Cl2FN4O3 — CID 41337381

IUPAC2,4-dichloro-N-[2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H21Cl2FN4O3/c22-14-5-6-15(16(23)11-14)21(31)26-12-19(29)25-13-20(30)28-9-7-27(8-10-28)18-4-2-1-3-17(18)24/h1-6,11H,7-10,12-13H2,(H,25,29)(H,26,31)
InChIKeyZXNDXHLNIZFTON-UHFFFAOYSA-N
MW467.33 g/mol
LogP2.33
Rot. Bonds6

About 2,4-dichloro-N-[2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide

2,4-dichloro-N-[2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide (PubChem CID 41337381) has the molecular formula C21H21Cl2FN4O3 and a molecular weight of 467.33 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide
PubChem CID41337381
Molecular FormulaC21H21Cl2FN4O3
Molecular Weight467.33 g/mol
Exact Mass466.10
IUPAC Name2,4-dichloro-N-[2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H21Cl2FN4O3/c22-14-5-6-15(16(23)11-14)21(31)26-12-19(29)25-13-20(30)28-9-7-27(8-10-28)18-4-2-1-3-17(18)24/h1-6,11H,7-10,12-13H2,(H,25,29)(H,26,31)
InChIKeyZXNDXHLNIZFTON-UHFFFAOYSA-N
XLogP2.33
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,4-dichloro-N-[2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide 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

2-(4-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 6460181
2,4-dichloro-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 2395344
(2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1332392
2,4-dichloro-N-[1-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 24665615
4-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 26590726
3-(2,4-dichloroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109029884
2-(3-chloro-4-fluoroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004455
2-(3,5-dichloroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004494
2,4-dichloro-N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]benzamide
CID 9047368
2,4-dichloro-N-[2-[[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 55655097
N-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4987887
2-(4-chloro-2-fluorophenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 100751498

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide (CID 41337381) is 2,4-dichloro-N-[2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2,4-dichloro-N-[2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is ZXNDXHLNIZFTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2FN4O3/c22-14-5-6-15(16(23)11-14)21(31)26-12-19(29)25-13-20(30)28-9-7-27(8-10-28)18-4-2-1-3-17(18)24/h1-6,11H,7-10,12-13H2,(H,25,29)(H,26,31).
What are the key properties of 2,4-dichloro-N-[2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide?
2,4-dichloro-N-[2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 467.33 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 41337381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).