2-benzoyl-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide

C24H20ClN3O3 — CID 60510122

IUPAC2-benzoyl-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide
SMILESO=C1CN(c2ccc(NC(=O)c3ccccc3C(=O)c3ccccc3)cc2Cl)CCN1
InChIInChI=1S/C24H20ClN3O3/c25-20-14-17(10-11-21(20)28-13-12-26-22(29)15-28)27-24(31)19-9-5-4-8-18(19)23(30)16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H,26,29)(H,27,31)
InChIKeyANYNMRWDLPLNAE-UHFFFAOYSA-N
MW433.90 g/mol
LogP3.76
Rot. Bonds5

About 2-benzoyl-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide

2-benzoyl-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide (PubChem CID 60510122) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is 2-benzoyl-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-benzoyl-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide
PubChem CID60510122
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC Name2-benzoyl-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide
SMILESO=C1CN(c2ccc(NC(=O)c3ccccc3C(=O)c3ccccc3)cc2Cl)CCN1
InChIInChI=1S/C24H20ClN3O3/c25-20-14-17(10-11-21(20)28-13-12-26-22(29)15-28)27-24(31)19-9-5-4-8-18(19)23(30)16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H,26,29)(H,27,31)
InChIKeyANYNMRWDLPLNAE-UHFFFAOYSA-N
XLogP3.76
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-benzoyl-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]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

4-chloro-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide
CID 46467877
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(4-methoxyanilino)benzamide
CID 60509898
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2,6-difluorobenzamide
CID 154774030
N-[3-[[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55763705
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]thiophene-3-carboxamide
CID 47045237
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-(difluoromethoxy)benzamide
CID 55661796
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55661860
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46467787
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 55710849
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 46468044
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55850883
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 78883751

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 2-benzoyl-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide (CID 60510122) is 2-benzoyl-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-benzoyl-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 2-benzoyl-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide is O=C1CN(c2ccc(NC(=O)c3ccccc3C(=O)c3ccccc3)cc2Cl)CCN1.
What is the InChIKey of 2-benzoyl-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide?
The InChIKey is ANYNMRWDLPLNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c25-20-14-17(10-11-21(20)28-13-12-26-22(29)15-28)27-24(31)19-9-5-4-8-18(19)23(30)16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H,26,29)(H,27,31).
What are the key properties of 2-benzoyl-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide?
2-benzoyl-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide has a molecular weight of 433.90 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 60510122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).