N-(2-benzoyl-4-chlorophenyl)-2-(4-formylpiperazin-1-yl)-2-phenylacetamide

C26H24ClN3O3 — CID 52916197

IUPACN-(2-benzoyl-4-chlorophenyl)-2-(4-formylpiperazin-1-yl)-2-phenylacetamide
SMILESO=CN1CCN(C(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H24ClN3O3/c27-21-11-12-23(22(17-21)25(32)20-9-5-2-6-10-20)28-26(33)24(19-7-3-1-4-8-19)30-15-13-29(18-31)14-16-30/h1-12,17-18,24H,13-16H2,(H,28,33)
InChIKeyNJAOFLAONCITFA-UHFFFAOYSA-N
MW461.95 g/mol
LogP4.02
Rot. Bonds7

About N-(2-benzoyl-4-chlorophenyl)-2-(4-formylpiperazin-1-yl)-2-phenylacetamide

N-(2-benzoyl-4-chlorophenyl)-2-(4-formylpiperazin-1-yl)-2-phenylacetamide (PubChem CID 52916197) has the molecular formula C26H24ClN3O3 and a molecular weight of 461.95 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-(4-formylpiperazin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-(4-formylpiperazin-1-yl)-2-phenylacetamide
PubChem CID52916197
Molecular FormulaC26H24ClN3O3
Molecular Weight461.95 g/mol
Exact Mass461.15
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-(4-formylpiperazin-1-yl)-2-phenylacetamide
SMILESO=CN1CCN(C(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H24ClN3O3/c27-21-11-12-23(22(17-21)25(32)20-9-5-2-6-10-20)28-26(33)24(19-7-3-1-4-8-19)30-15-13-29(18-31)14-16-30/h1-12,17-18,24H,13-16H2,(H,28,33)
InChIKeyNJAOFLAONCITFA-UHFFFAOYSA-N
XLogP4.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.95
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 52916738
2-amino-N-(2-benzoyl-4-chlorophenyl)-2-fluoroacetamide
CID 23332701
N-(2-benzoyl-4-chlorophenyl)-2-chloro-2-(4-fluorophenyl)acetamide
CID 52916008
(2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpentanamide
CID 879686
N-(2-benzoyl-4-chlorophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide
CID 2101756
N-(3-acetylphenyl)-2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide
CID 55841686
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
N-(2-benzoyl-4-chlorophenyl)-4-phenylsulfanylbutanamide
CID 41085814
N-(2-benzoyl-4-chlorophenyl)-4-morpholin-4-ylbenzamide
CID 21367719
N-(2-benzoyl-4-chlorophenyl)-2-piperidin-1-ylacetamide;hydrochloride
CID 3039234
N-(2-benzoyl-4-chlorophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11839494
[5-chloro-2-(cyclopropylamino)phenyl]-phenylmethanone
CID 14598884

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-(4-formylpiperazin-1-yl)-2-phenylacetamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-(4-formylpiperazin-1-yl)-2-phenylacetamide (CID 52916197) is N-(2-benzoyl-4-chlorophenyl)-2-(4-formylpiperazin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-(4-formylpiperazin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-(4-formylpiperazin-1-yl)-2-phenylacetamide is O=CN1CCN(C(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-(4-formylpiperazin-1-yl)-2-phenylacetamide?
The InChIKey is NJAOFLAONCITFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O3/c27-21-11-12-23(22(17-21)25(32)20-9-5-2-6-10-20)28-26(33)24(19-7-3-1-4-8-19)30-15-13-29(18-31)14-16-30/h1-12,17-18,24H,13-16H2,(H,28,33).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-(4-formylpiperazin-1-yl)-2-phenylacetamide?
N-(2-benzoyl-4-chlorophenyl)-2-(4-formylpiperazin-1-yl)-2-phenylacetamide has a molecular weight of 461.95 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-(4-formylpiperazin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 52916197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).