N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2,2-diphenylacetamide

C22H18Br2N2O — CID 126396553

IUPACN-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2,2-diphenylacetamide
SMILESCc1c(Br)cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1Br
InChIInChI=1S/C22H18Br2N2O/c1-15-19(23)12-16(13-20(15)24)14-25-26-22(27)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14,21H,1H3,(H,26,27)/b25-14+
InChIKeyMUJFJUOXMJZMGF-AFUMVMLFSA-N
MW486.21 g/mol
LogP5.80
Rot. Bonds5

About N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2,2-diphenylacetamide

N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2,2-diphenylacetamide (PubChem CID 126396553) has the molecular formula C22H18Br2N2O and a molecular weight of 486.21 g/mol. Its IUPAC name is N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2,2-diphenylacetamide
PubChem CID126396553
Molecular FormulaC22H18Br2N2O
Molecular Weight486.21 g/mol
Exact Mass483.98
IUPAC NameN-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2,2-diphenylacetamide
SMILESCc1c(Br)cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1Br
InChIInChI=1S/C22H18Br2N2O/c1-15-19(23)12-16(13-20(15)24)14-25-26-22(27)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14,21H,1H3,(H,26,27)/b25-14+
InChIKeyMUJFJUOXMJZMGF-AFUMVMLFSA-N
XLogP5.80
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.21
LogP ≤ 55.80
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-[(4-bromophenyl)methylideneamino]-2,2-diphenylacetamide
CID 3462678
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2,2-diphenylacetamide
CID 5499697
N-[(E)-(4-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 6873111
N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-hydroxybenzamide
CID 126052608
N-[(E)-[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide
CID 126396544
N-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2,2-diphenylacetamide
CID 126396799
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135679569
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 3462683
N-[(E)-benzylideneamino]-2-(3,4-dimethoxyphenyl)-2-phenylacetamide
CID 20843507
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2,2-diphenylacetamide
CID 5432164
N-[(E)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide
CID 126397284
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 137156032

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2,2-diphenylacetamide?
The IUPAC name of N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2,2-diphenylacetamide (CID 126396553) is N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2,2-diphenylacetamide?
The canonical SMILES for N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2,2-diphenylacetamide is Cc1c(Br)cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1Br.
What is the InChIKey of N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2,2-diphenylacetamide?
The InChIKey is MUJFJUOXMJZMGF-AFUMVMLFSA-N. The full InChI is InChI=1S/C22H18Br2N2O/c1-15-19(23)12-16(13-20(15)24)14-25-26-22(27)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14,21H,1H3,(H,26,27)/b25-14+.
What are the key properties of N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2,2-diphenylacetamide?
N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2,2-diphenylacetamide has a molecular weight of 486.21 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2,2-diphenylacetamide is sourced from PubChem (CID 126396553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).