N-(2-aminophenyl)-4-[(3-benzylidene-2-oxocyclopentyl)methyl]benzamide

C26H24N2O2 — CID 175274289

IUPACN-(2-aminophenyl)-4-[(3-benzylidene-2-oxocyclopentyl)methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CC2CCC(=Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C26H24N2O2/c27-23-8-4-5-9-24(23)28-26(30)20-12-10-19(11-13-20)17-22-15-14-21(25(22)29)16-18-6-2-1-3-7-18/h1-13,16,22H,14-15,17,27H2,(H,28,30)
InChIKeyVHFGTGBEKDUNEZ-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.13
Rot. Bonds5

About N-(2-aminophenyl)-4-[(3-benzylidene-2-oxocyclopentyl)methyl]benzamide

N-(2-aminophenyl)-4-[(3-benzylidene-2-oxocyclopentyl)methyl]benzamide (PubChem CID 175274289) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(3-benzylidene-2-oxocyclopentyl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(3-benzylidene-2-oxocyclopentyl)methyl]benzamide
PubChem CID175274289
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC NameN-(2-aminophenyl)-4-[(3-benzylidene-2-oxocyclopentyl)methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CC2CCC(=Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C26H24N2O2/c27-23-8-4-5-9-24(23)28-26(30)20-12-10-19(11-13-20)17-22-15-14-21(25(22)29)16-18-6-2-1-3-7-18/h1-13,16,22H,14-15,17,27H2,(H,28,30)
InChIKeyVHFGTGBEKDUNEZ-UHFFFAOYSA-N
XLogP5.13
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.13
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'}

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Related Compounds

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N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
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N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
CID 58916411
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N-(2-aminophenyl)-4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]benzamide
CID 171354291
N-(2-aminophenyl)-4-[[(2-benzamidoacetyl)amino]methyl]benzamide
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CID 155418611

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(3-benzylidene-2-oxocyclopentyl)methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[(3-benzylidene-2-oxocyclopentyl)methyl]benzamide (CID 175274289) is N-(2-aminophenyl)-4-[(3-benzylidene-2-oxocyclopentyl)methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[(3-benzylidene-2-oxocyclopentyl)methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[(3-benzylidene-2-oxocyclopentyl)methyl]benzamide is Nc1ccccc1NC(=O)c1ccc(CC2CCC(=Cc3ccccc3)C2=O)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[(3-benzylidene-2-oxocyclopentyl)methyl]benzamide?
The InChIKey is VHFGTGBEKDUNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c27-23-8-4-5-9-24(23)28-26(30)20-12-10-19(11-13-20)17-22-15-14-21(25(22)29)16-18-6-2-1-3-7-18/h1-13,16,22H,14-15,17,27H2,(H,28,30).
What are the key properties of N-(2-aminophenyl)-4-[(3-benzylidene-2-oxocyclopentyl)methyl]benzamide?
N-(2-aminophenyl)-4-[(3-benzylidene-2-oxocyclopentyl)methyl]benzamide has a molecular weight of 396.49 g/mol, XLogP of 5.13, 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-[(3-benzylidene-2-oxocyclopentyl)methyl]benzamide is sourced from PubChem (CID 175274289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).