3-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide

C20H21Cl2N3O2 — CID 24737765

IUPAC3-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide
SMILESO=C(NCCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C20H21Cl2N3O2/c21-16-4-6-18(7-5-16)24-10-12-25(13-11-24)19(26)8-9-23-20(27)15-2-1-3-17(22)14-15/h1-7,14H,8-13H2,(H,23,27)
InChIKeyWVQUURMLFGHCCU-UHFFFAOYSA-N
MW406.31 g/mol
LogP3.46
Rot. Bonds5

About 3-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide

3-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide (PubChem CID 24737765) has the molecular formula C20H21Cl2N3O2 and a molecular weight of 406.31 g/mol. Its IUPAC name is 3-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide
PubChem CID24737765
Molecular FormulaC20H21Cl2N3O2
Molecular Weight406.31 g/mol
Exact Mass405.10
IUPAC Name3-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide
SMILESO=C(NCCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C20H21Cl2N3O2/c21-16-4-6-18(7-5-16)24-10-12-25(13-11-24)19(26)8-9-23-20(27)15-2-1-3-17(22)14-15/h1-7,14H,8-13H2,(H,23,27)
InChIKeyWVQUURMLFGHCCU-UHFFFAOYSA-N
XLogP3.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]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

[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]urea
CID 9208338
3-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 17226023
3-chloro-N-[4-(4-octanoylpiperazin-1-yl)phenyl]benzamide
CID 42767064
3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266643
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-4-(3-chlorophenyl)-4-oxobutanamide
CID 110427133
4-chloro-1-[4-(4-chlorophenyl)piperazin-1-yl]butan-1-one
CID 4159401
4-chloro-N-[4-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-4-oxobutyl]benzamide
CID 55917634
1-[4-(3-chlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione
CID 20969074
3-chloro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide
CID 3480047
N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
CID 31886454
4-chloro-N-[3-oxo-3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propyl]benzamide
CID 55802990

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide?
The IUPAC name of 3-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide (CID 24737765) is 3-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide?
The canonical SMILES for 3-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide is O=C(NCCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide?
The InChIKey is WVQUURMLFGHCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O2/c21-16-4-6-18(7-5-16)24-10-12-25(13-11-24)19(26)8-9-23-20(27)15-2-1-3-17(22)14-15/h1-7,14H,8-13H2,(H,23,27).
What are the key properties of 3-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide?
3-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide has a molecular weight of 406.31 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide is sourced from PubChem (CID 24737765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).