N-(benzhydrylideneamino)-2-(2-phenylethynyl)benzamide

C28H20N2O — CID 146166671

IUPACN-(benzhydrylideneamino)-2-(2-phenylethynyl)benzamide
SMILESO=C(NN=C(c1ccccc1)c1ccccc1)c1ccccc1C#Cc1ccccc1
InChIInChI=1S/C28H20N2O/c31-28(26-19-11-10-14-23(26)21-20-22-12-4-1-5-13-22)30-29-27(24-15-6-2-7-16-24)25-17-8-3-9-18-25/h1-19H,(H,30,31)
InChIKeyPYYZYJAKBONZBS-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.27
Rot. Bonds4

About N-(benzhydrylideneamino)-2-(2-phenylethynyl)benzamide

N-(benzhydrylideneamino)-2-(2-phenylethynyl)benzamide (PubChem CID 146166671) has the molecular formula C28H20N2O and a molecular weight of 400.48 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-2-(2-phenylethynyl)benzamide.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-2-(2-phenylethynyl)benzamide
PubChem CID146166671
Molecular FormulaC28H20N2O
Molecular Weight400.48 g/mol
Exact Mass400.16
IUPAC NameN-(benzhydrylideneamino)-2-(2-phenylethynyl)benzamide
SMILESO=C(NN=C(c1ccccc1)c1ccccc1)c1ccccc1C#Cc1ccccc1
InChIInChI=1S/C28H20N2O/c31-28(26-19-11-10-14-23(26)21-20-22-12-4-1-5-13-22)30-29-27(24-15-6-2-7-16-24)25-17-8-3-9-18-25/h1-19H,(H,30,31)
InChIKeyPYYZYJAKBONZBS-UHFFFAOYSA-N
XLogP5.27
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.27
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(benzhydrylideneamino)-2-hydroxybenzamide
CID 24574931
N-(benzhydrylideneamino)-2-(methoxymethyl)benzamide
CID 39088960
2-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide
CID 6263609
N-(4-bromophenyl)-2-(2-phenylethynyl)benzamide
CID 135017964
N-(4-methylphenyl)-2-(2-phenylethynyl)benzamide
CID 135017880
N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]naphthalene-1-carboxamide
CID 7256390
2-methoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide;hydrochloride
CID 88671183
2-hydroxy-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6262559
2-[2-(4-methylphenyl)ethynyl]-N-phenylbenzamide
CID 102453859
N-(benzhydrylideneamino)-2-oxochromene-3-carboxamide
CID 18284060
4-[2-(2-acetylphenyl)ethynyl]benzoic acid
CID 70289868
2-methyl-N-[[phenyl-(4-phenylphenyl)methylidene]amino]furan-3-carboxamide
CID 5016586

Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-2-(2-phenylethynyl)benzamide?
The IUPAC name of N-(benzhydrylideneamino)-2-(2-phenylethynyl)benzamide (CID 146166671) is N-(benzhydrylideneamino)-2-(2-phenylethynyl)benzamide.
What is the SMILES notation for N-(benzhydrylideneamino)-2-(2-phenylethynyl)benzamide?
The canonical SMILES for N-(benzhydrylideneamino)-2-(2-phenylethynyl)benzamide is O=C(NN=C(c1ccccc1)c1ccccc1)c1ccccc1C#Cc1ccccc1.
What is the InChIKey of N-(benzhydrylideneamino)-2-(2-phenylethynyl)benzamide?
The InChIKey is PYYZYJAKBONZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O/c31-28(26-19-11-10-14-23(26)21-20-22-12-4-1-5-13-22)30-29-27(24-15-6-2-7-16-24)25-17-8-3-9-18-25/h1-19H,(H,30,31).
What are the key properties of N-(benzhydrylideneamino)-2-(2-phenylethynyl)benzamide?
N-(benzhydrylideneamino)-2-(2-phenylethynyl)benzamide has a molecular weight of 400.48 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-2-(2-phenylethynyl)benzamide is sourced from PubChem (CID 146166671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).