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

C26H24ClN3O2 — CID 141437009

IUPACN-(2-aminophenyl)-4-[[(3E)-3-[(4-chlorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CN2CCC/C(=C\c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C26H24ClN3O2/c27-22-13-9-18(10-14-22)16-21-4-3-15-30(26(21)32)17-19-7-11-20(12-8-19)25(31)29-24-6-2-1-5-23(24)28/h1-2,5-14,16H,3-4,15,17,28H2,(H,29,31)/b21-16+
InChIKeyNIRHBZPDOKODLK-LTGZKZEYSA-N
MW445.95 g/mol
LogP5.38
Rot. Bonds5

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

N-(2-aminophenyl)-4-[[(3E)-3-[(4-chlorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]benzamide (PubChem CID 141437009) has the molecular formula C26H24ClN3O2 and a molecular weight of 445.95 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[(3E)-3-[(4-chlorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[(3E)-3-[(4-chlorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]benzamide
PubChem CID141437009
Molecular FormulaC26H24ClN3O2
Molecular Weight445.95 g/mol
Exact Mass445.16
IUPAC NameN-(2-aminophenyl)-4-[[(3E)-3-[(4-chlorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CN2CCC/C(=C\c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C26H24ClN3O2/c27-22-13-9-18(10-14-22)16-21-4-3-15-30(26(21)32)17-19-7-11-20(12-8-19)25(31)29-24-6-2-1-5-23(24)28/h1-2,5-14,16H,3-4,15,17,28H2,(H,29,31)/b21-16+
InChIKeyNIRHBZPDOKODLK-LTGZKZEYSA-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-[(4-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

N-(4-chlorophenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide
CID 55466192
N-(2-aminophenyl)-4-[(3-benzylidene-2-oxocyclopentyl)methyl]benzamide
CID 175274289
N-(2,5-dichlorophenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 28633234
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2-piperidin-1-ylphenyl)benzamide
CID 32760714
N-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide
CID 174854495
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 35203584
N-(2-aminophenyl)-4-[(1-pentylpiperidin-4-ylidene)methyl]benzamide
CID 138662403
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2,4,5-trichlorophenyl)benzamide
CID 94872752
N'-[2-(4-chlorophenyl)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
CID 30755522
N-(2-aminophenyl)-4-[(1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzamide
CID 139951393
N-(2,3-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 99950871

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[(3E)-3-[(4-chlorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[(3E)-3-[(4-chlorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]benzamide (CID 141437009) is N-(2-aminophenyl)-4-[[(3E)-3-[(4-chlorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[(3E)-3-[(4-chlorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[(3E)-3-[(4-chlorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]benzamide is Nc1ccccc1NC(=O)c1ccc(CN2CCC/C(=C\c3ccc(Cl)cc3)C2=O)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[[(3E)-3-[(4-chlorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]benzamide?
The InChIKey is NIRHBZPDOKODLK-LTGZKZEYSA-N. The full InChI is InChI=1S/C26H24ClN3O2/c27-22-13-9-18(10-14-22)16-21-4-3-15-30(26(21)32)17-19-7-11-20(12-8-19)25(31)29-24-6-2-1-5-23(24)28/h1-2,5-14,16H,3-4,15,17,28H2,(H,29,31)/b21-16+.
What are the key properties of N-(2-aminophenyl)-4-[[(3E)-3-[(4-chlorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]benzamide?
N-(2-aminophenyl)-4-[[(3E)-3-[(4-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-[(4-chlorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 141437009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).