N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2,4-dichlorobenzamide

C24H20Cl3N3O2 — CID 3338645

IUPACN-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2,4-dichlorobenzamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H20Cl3N3O2/c25-17-6-8-19(20(26)14-17)23(31)28-18-7-9-22(21(27)15-18)29-10-12-30(13-11-29)24(32)16-4-2-1-3-5-16/h1-9,14-15H,10-13H2,(H,28,31)
InChIKeySPHOINBIFIOMHR-UHFFFAOYSA-N
MW488.80 g/mol
LogP5.86
Rot. Bonds4

About N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2,4-dichlorobenzamide

N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2,4-dichlorobenzamide (PubChem CID 3338645) has the molecular formula C24H20Cl3N3O2 and a molecular weight of 488.80 g/mol. Its IUPAC name is N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2,4-dichlorobenzamide
PubChem CID3338645
Molecular FormulaC24H20Cl3N3O2
Molecular Weight488.80 g/mol
Exact Mass487.06
IUPAC NameN-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2,4-dichlorobenzamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H20Cl3N3O2/c25-17-6-8-19(20(26)14-17)23(31)28-18-7-9-22(21(27)15-18)29-10-12-30(13-11-29)24(32)16-4-2-1-3-5-16/h1-9,14-15H,10-13H2,(H,28,31)
InChIKeySPHOINBIFIOMHR-UHFFFAOYSA-N
XLogP5.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.80
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-5-bromo-2-chlorobenzamide
CID 17319284
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]naphthalene-2-carboxamide
CID 17111820
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-methylpropanamide
CID 3161464
N-[3-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2,4-dimethylbenzamide
CID 3589769
N-(3-benzoyl-4-morpholin-4-ylphenyl)-2,4-dichlorobenzamide
CID 2953562
2-chloro-N-[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]benzamide
CID 23101203
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22586990
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-4-methyl-3-nitrobenzamide
CID 2084129
N-[4-(4-benzylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-2,4-dichlorobenzamide
CID 3993970
5-benzamido-N-benzyl-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-methylbenzamide
CID 42673473
N-(3-amino-4-pyrrolidin-1-ylphenyl)-2,4-dichlorobenzamide
CID 91676429
N-[[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-4-tert-butylbenzamide
CID 17317777

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2,4-dichlorobenzamide?
The IUPAC name of N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2,4-dichlorobenzamide (CID 3338645) is N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2,4-dichlorobenzamide is O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2,4-dichlorobenzamide?
The InChIKey is SPHOINBIFIOMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl3N3O2/c25-17-6-8-19(20(26)14-17)23(31)28-18-7-9-22(21(27)15-18)29-10-12-30(13-11-29)24(32)16-4-2-1-3-5-16/h1-9,14-15H,10-13H2,(H,28,31).
What are the key properties of N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2,4-dichlorobenzamide?
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2,4-dichlorobenzamide has a molecular weight of 488.80 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2,4-dichlorobenzamide is sourced from PubChem (CID 3338645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).