N-(2-aminophenyl)-4-[[(3E)-3-[(3-chlorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]benzamide

C26H24ClN3O2 — CID 141437014

IUPACN-(2-aminophenyl)-4-[[(3E)-3-[(3-chlorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CN2CCC/C(=C\c3cccc(Cl)c3)C2=O)cc1
InChIInChI=1S/C26H24ClN3O2/c27-22-7-3-5-19(16-22)15-21-6-4-14-30(26(21)32)17-18-10-12-20(13-11-18)25(31)29-24-9-2-1-8-23(24)28/h1-3,5,7-13,15-16H,4,6,14,17,28H2,(H,29,31)/b21-15+
InChIKeyAAQDSSIDTDOWPD-RCCKNPSSSA-N
MW445.95 g/mol
LogP5.38
Rot. Bonds5

About N-(2-aminophenyl)-4-[[(3E)-3-[(3-chlorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]benzamide

N-(2-aminophenyl)-4-[[(3E)-3-[(3-chlorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]benzamide (PubChem CID 141437014) has the molecular formula C26H24ClN3O2 and a molecular weight of 445.95 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[(3E)-3-[(3-chlorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[(3E)-3-[(3-chlorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]benzamide
PubChem CID141437014
Molecular FormulaC26H24ClN3O2
Molecular Weight445.95 g/mol
Exact Mass445.16
IUPAC NameN-(2-aminophenyl)-4-[[(3E)-3-[(3-chlorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CN2CCC/C(=C\c3cccc(Cl)c3)C2=O)cc1
InChIInChI=1S/C26H24ClN3O2/c27-22-7-3-5-19(16-22)15-21-6-4-14-30(26(21)32)17-18-10-12-20(13-11-18)25(31)29-24-9-2-1-8-23(24)28/h1-3,5,7-13,15-16H,4,6,14,17,28H2,(H,29,31)/b21-15+
InChIKeyAAQDSSIDTDOWPD-RCCKNPSSSA-N
XLogP5.38
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.95
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(2-aminophenyl)-4-[[(3E)-3-[(3-chlorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]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

RG-2833
CID 56654642
1-(3-Chlorophenyl)-4-(4-methylbenzoyl)piperazine
CID 749123
N-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide
CID 11384664
N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)-trans-but-2-enyl)-4-(6-oxo-1,6-dihydropyridin-2-yl)benzamide
CID 44427820
n,n'-Bis(2-chlorophenyl)benzene-1,4-dicarboxamide
CID 272219
1-(4-Chlorobenzoyl)-4-(4-chlorophenyl)piperazine
CID 897167
N-[2-(4-benzoylpiperazin-1-yl)phenyl]-2,2,2-trichloroacetamide
CID 1994681
Methanone, (4-chlorophenyl)[4-(4-fluorophenyl)-1-piperazinyl]-
CID 720118
1-{4-[4-(3-Chlorobenzoyl)piperazin-1-Yl]phenyl}ethanone
CID 8866783
N-(2-aminophenyl)-4-(1-{[4-(ethylcarbamoyl)phenyl]methyl}piperidin-4-yl)benzamide
CID 25010550
N-(2-aminophenyl)-4-(1-benzylpiperidin-4-yl)benzamide
CID 25023853
N-(2-aminophenyl)-4-(1-{[4-(dimethylcarbamoyl)phenyl]methyl}piperidin-4-yl)benzamide
CID 25023857

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[(3E)-3-[(3-chlorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[(3E)-3-[(3-chlorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]benzamide (CID 141437014) is N-(2-aminophenyl)-4-[[(3E)-3-[(3-chlorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[(3E)-3-[(3-chlorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[(3E)-3-[(3-chlorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]benzamide is Nc1ccccc1NC(=O)c1ccc(CN2CCC/C(=C\c3cccc(Cl)c3)C2=O)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[[(3E)-3-[(3-chlorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]benzamide?
The InChIKey is AAQDSSIDTDOWPD-RCCKNPSSSA-N. The full InChI is InChI=1S/C26H24ClN3O2/c27-22-7-3-5-19(16-22)15-21-6-4-14-30(26(21)32)17-18-10-12-20(13-11-18)25(31)29-24-9-2-1-8-23(24)28/h1-3,5,7-13,15-16H,4,6,14,17,28H2,(H,29,31)/b21-15+.
What are the key properties of N-(2-aminophenyl)-4-[[(3E)-3-[(3-chlorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]benzamide?
N-(2-aminophenyl)-4-[[(3E)-3-[(3-chlorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]benzamide has a molecular weight of 445.95 g/mol, XLogP of 5.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[(3E)-3-[(3-chlorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 141437014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).