N-[(4-bromophenyl)methylideneamino]-2,2-diphenylacetamide

C21H17BrN2O — CID 3462678

IUPACN-[(4-bromophenyl)methylideneamino]-2,2-diphenylacetamide
SMILESO=C(NN=Cc1ccc(Br)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17BrN2O/c22-19-13-11-16(12-14-19)15-23-24-21(25)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15,20H,(H,24,25)
InChIKeyTUNKNGCHHMVAFX-UHFFFAOYSA-N
MW393.28 g/mol
LogP4.73
Rot. Bonds5

About N-[(4-bromophenyl)methylideneamino]-2,2-diphenylacetamide

N-[(4-bromophenyl)methylideneamino]-2,2-diphenylacetamide (PubChem CID 3462678) has the molecular formula C21H17BrN2O and a molecular weight of 393.28 g/mol. Its IUPAC name is N-[(4-bromophenyl)methylideneamino]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methylideneamino]-2,2-diphenylacetamide
PubChem CID3462678
Molecular FormulaC21H17BrN2O
Molecular Weight393.28 g/mol
Exact Mass392.05
IUPAC NameN-[(4-bromophenyl)methylideneamino]-2,2-diphenylacetamide
SMILESO=C(NN=Cc1ccc(Br)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17BrN2O/c22-19-13-11-16(12-14-19)15-23-24-21(25)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15,20H,(H,24,25)
InChIKeyTUNKNGCHHMVAFX-UHFFFAOYSA-N
XLogP4.73
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 54.73
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-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2,2-diphenylacetamide
CID 5499697
N-[(E)-(4-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 6873111
N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 126396553
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2,2-diphenylacetamide
CID 5432164
(2R)-N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-cyano-2-phenylacetamide
CID 126204080
N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2,2-diphenylacetamide
CID 94833111
N-[(E)-benzylideneamino]-2-(3,4-dimethoxyphenyl)-2-phenylacetamide
CID 20843507
N-[1-[2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 4532278
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135679569
N-[(2R)-1-[2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 129439224
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 3462683
N-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2,2-diphenylacetamide
CID 126396799

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methylideneamino]-2,2-diphenylacetamide?
The IUPAC name of N-[(4-bromophenyl)methylideneamino]-2,2-diphenylacetamide (CID 3462678) is N-[(4-bromophenyl)methylideneamino]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(4-bromophenyl)methylideneamino]-2,2-diphenylacetamide?
The canonical SMILES for N-[(4-bromophenyl)methylideneamino]-2,2-diphenylacetamide is O=C(NN=Cc1ccc(Br)cc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(4-bromophenyl)methylideneamino]-2,2-diphenylacetamide?
The InChIKey is TUNKNGCHHMVAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2O/c22-19-13-11-16(12-14-19)15-23-24-21(25)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15,20H,(H,24,25).
What are the key properties of N-[(4-bromophenyl)methylideneamino]-2,2-diphenylacetamide?
N-[(4-bromophenyl)methylideneamino]-2,2-diphenylacetamide has a molecular weight of 393.28 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methylideneamino]-2,2-diphenylacetamide is sourced from PubChem (CID 3462678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).