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

C22H20N2O — CID 54785289

IUPACN-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N2O/c1-17(23-24-22(25)20-15-9-4-10-16-20)21(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16,21H,1H3,(H,24,25)/b23-17+
InChIKeyBROPOISXSTXIIW-HAVVHWLPSA-N
MW328.42 g/mol
LogP4.62
Rot. Bonds5

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

N-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide (PubChem CID 54785289) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide
PubChem CID54785289
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC NameN-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N2O/c1-17(23-24-22(25)20-15-9-4-10-16-20)21(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16,21H,1H3,(H,24,25)/b23-17+
InChIKeyBROPOISXSTXIIW-HAVVHWLPSA-N
XLogP4.62
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-phenylbenzamide
CID 54785301
N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-nitrobenzamide
CID 54785337
N-[(E)-1,1-diphenylpropan-2-ylideneamino]-2-phenylmethoxybenzamide
CID 54785183
N-[(Z)-4-methylpentan-2-ylideneamino]benzamide
CID 6030985
[(E)-1,1-diphenylpropan-2-ylideneamino]thiourea
CID 54785271
N-[(E)-1,1-diphenylpropan-2-ylideneamino]-2-ethoxyacetamide
CID 54785224
N-[(E)-1,1,1-trideuteriopropan-2-ylideneamino]benzamide
CID 175869908
2-(2-chlorophenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide
CID 54785318
N-[(Z)-4-methylpent-3-en-2-ylideneamino]benzamide
CID 6322956
N-[(E)-1-chloropropan-2-ylideneamino]benzamide
CID 5380278
ethyl (2S)-2-[(Z)-N-benzamido-C-methylcarbonimidoyl]pentanoate
CID 40557497
N-(pentan-3-ylideneamino)benzamide
CID 4611553

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide?
The IUPAC name of N-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide (CID 54785289) is N-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide.
What is the SMILES notation for N-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide?
The canonical SMILES for N-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide is C/C(=N\NC(=O)c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide?
The InChIKey is BROPOISXSTXIIW-HAVVHWLPSA-N. The full InChI is InChI=1S/C22H20N2O/c1-17(23-24-22(25)20-15-9-4-10-16-20)21(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16,21H,1H3,(H,24,25)/b23-17+.
What are the key properties of N-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide?
N-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide has a molecular weight of 328.42 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide is sourced from PubChem (CID 54785289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).