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

C17H15Cl2N3O2 — CID 46467877

IUPAC4-chloro-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide
SMILESO=C1CN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2Cl)CCN1
InChIInChI=1S/C17H15Cl2N3O2/c18-12-3-1-11(2-4-12)17(24)21-13-5-6-15(14(19)9-13)22-8-7-20-16(23)10-22/h1-6,9H,7-8,10H2,(H,20,23)(H,21,24)
InChIKeyFYSSCRNFSPGHNX-UHFFFAOYSA-N
MW364.23 g/mol
LogP3.18
Rot. Bonds3

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

4-chloro-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide (PubChem CID 46467877) has the molecular formula C17H15Cl2N3O2 and a molecular weight of 364.23 g/mol. Its IUPAC name is 4-chloro-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide
PubChem CID46467877
Molecular FormulaC17H15Cl2N3O2
Molecular Weight364.23 g/mol
Exact Mass363.05
IUPAC Name4-chloro-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide
SMILESO=C1CN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2Cl)CCN1
InChIInChI=1S/C17H15Cl2N3O2/c18-12-3-1-11(2-4-12)17(24)21-13-5-6-15(14(19)9-13)22-8-7-20-16(23)10-22/h1-6,9H,7-8,10H2,(H,20,23)(H,21,24)
InChIKeyFYSSCRNFSPGHNX-UHFFFAOYSA-N
XLogP3.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 53.18
H-Bond Donors ≤ 52
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-[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]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 55710849
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]thiophene-3-carboxamide
CID 47045237
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2,6-difluorobenzamide
CID 154774030
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55710749
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 55661892
2-benzoyl-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide
CID 60510122
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]-3-(difluoromethoxy)benzamide
CID 55661796
4-[(E)-3-[3-chloro-4-(3-oxopiperazin-1-yl)anilino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 55710568
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55661860

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide (CID 46467877) is 4-chloro-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide is O=C1CN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2Cl)CCN1.
What is the InChIKey of 4-chloro-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide?
The InChIKey is FYSSCRNFSPGHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2/c18-12-3-1-11(2-4-12)17(24)21-13-5-6-15(14(19)9-13)22-8-7-20-16(23)10-22/h1-6,9H,7-8,10H2,(H,20,23)(H,21,24).
What are the key properties of 4-chloro-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide?
4-chloro-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide has a molecular weight of 364.23 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 46467877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).