N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-nitrobenzamide

C22H19N3O3 — CID 54785337

IUPACN-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-nitrobenzamide
SMILESC/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19N3O3/c1-16(23-24-22(26)19-12-14-20(15-13-19)25(27)28)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,21H,1H3,(H,24,26)/b23-16+
InChIKeyFRJFJXVDSIIJBS-XQNSMLJCSA-N
MW373.41 g/mol
LogP4.53
Rot. Bonds6

About N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-nitrobenzamide

N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-nitrobenzamide (PubChem CID 54785337) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-nitrobenzamide
PubChem CID54785337
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-nitrobenzamide
SMILESC/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19N3O3/c1-16(23-24-22(26)19-12-14-20(15-13-19)25(27)28)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,21H,1H3,(H,24,26)/b23-16+
InChIKeyFRJFJXVDSIIJBS-XQNSMLJCSA-N
XLogP4.53
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-nitrobenzamide 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-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide
CID 54785289
N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-phenylbenzamide
CID 54785301
N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 715758
4-benzamido-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3289474
4-nitro-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide
CID 5331274
N-benzhydryl-4-nitrobenzamide
CID 676068
N-(diaminomethylideneamino)-4-nitrobenzamide
CID 10632849
4-nitro-N-(pentan-3-ylideneamino)benzamide
CID 4230759
N-[(Z)-[(3Z)-4-anilino-3-hydroxyimino-4-oxobutan-2-ylidene]amino]-4-nitrobenzamide
CID 136861513
4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide
CID 5396833
N-[(Z)-1-(4-iodophenyl)ethylideneamino]-4-nitrobenzamide
CID 9014822
4-nitro-N-(pentan-2-ylideneamino)benzamide
CID 5106021

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-nitrobenzamide?
The IUPAC name of N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-nitrobenzamide (CID 54785337) is N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-nitrobenzamide.
What is the SMILES notation for N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-nitrobenzamide?
The canonical SMILES for N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-nitrobenzamide is C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-nitrobenzamide?
The InChIKey is FRJFJXVDSIIJBS-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-16(23-24-22(26)19-12-14-20(15-13-19)25(27)28)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,21H,1H3,(H,24,26)/b23-16+.
What are the key properties of N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-nitrobenzamide?
N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-nitrobenzamide has a molecular weight of 373.41 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 54785337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).