N-(3-chlorophenyl)-4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]benzamide

C24H20ClN3O3 — CID 53135565

IUPACN-(3-chlorophenyl)-4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(CN2CCN(c3ccccc3)C(=O)C2=O)cc1
InChIInChI=1S/C24H20ClN3O3/c25-19-5-4-6-20(15-19)26-22(29)18-11-9-17(10-12-18)16-27-13-14-28(24(31)23(27)30)21-7-2-1-3-8-21/h1-12,15H,13-14,16H2,(H,26,29)
InChIKeyXVCHJQYASMDESB-UHFFFAOYSA-N
MW433.90 g/mol
LogP3.97
Rot. Bonds5

About N-(3-chlorophenyl)-4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]benzamide

N-(3-chlorophenyl)-4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]benzamide (PubChem CID 53135565) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]benzamide
PubChem CID53135565
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC NameN-(3-chlorophenyl)-4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(CN2CCN(c3ccccc3)C(=O)C2=O)cc1
InChIInChI=1S/C24H20ClN3O3/c25-19-5-4-6-20(15-19)26-22(29)18-11-9-17(10-12-18)16-27-13-14-28(24(31)23(27)30)21-7-2-1-3-8-21/h1-12,15H,13-14,16H2,(H,26,29)
InChIKeyXVCHJQYASMDESB-UHFFFAOYSA-N
XLogP3.97
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(2-fluoro-4-methylphenyl)benzamide
CID 53135578
4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(1-phenylethyl)benzamide
CID 53135564
4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(3-methylbutyl)benzamide
CID 53135581
4-[[4-[(3-chlorophenyl)methyl]-2,3-dioxopiperazin-1-yl]methyl]benzoic acid
CID 53214174
4-(benzylsulfanylmethyl)-N-(3-chlorophenyl)benzamide
CID 2271018
N-[3-[3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-fluorobenzamide
CID 42868781
4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(3-chlorophenyl)benzamide
CID 1194953
4-[(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)methyl]-N-(3-fluorophenyl)benzamide
CID 53135422
4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-phenylbenzamide
CID 50754409
N-(3-chlorophenyl)-3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
CID 50814161
N-(3-chlorophenyl)-4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzamide
CID 43859493
4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-chlorophenyl)benzamide
CID 1408064

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-(3-chlorophenyl)-4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]benzamide (CID 53135565) is N-(3-chlorophenyl)-4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]benzamide is O=C(Nc1cccc(Cl)c1)c1ccc(CN2CCN(c3ccccc3)C(=O)C2=O)cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]benzamide?
The InChIKey is XVCHJQYASMDESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c25-19-5-4-6-20(15-19)26-22(29)18-11-9-17(10-12-18)16-27-13-14-28(24(31)23(27)30)21-7-2-1-3-8-21/h1-12,15H,13-14,16H2,(H,26,29).
What are the key properties of N-(3-chlorophenyl)-4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]benzamide?
N-(3-chlorophenyl)-4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]benzamide has a molecular weight of 433.90 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 53135565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).