N-[(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide

C18H18Br2N2O — CID 3345435

IUPACN-[(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)NN=Cc2cc(Br)c(C)c(Br)c2)cc1C
InChIInChI=1S/C18H18Br2N2O/c1-11-4-5-14(6-12(11)2)9-18(23)22-21-10-15-7-16(19)13(3)17(20)8-15/h4-8,10H,9H2,1-3H3,(H,22,23)
InChIKeyVDZVKXOLKBGQLZ-UHFFFAOYSA-N
MW438.16 g/mol
LogP4.83
Rot. Bonds4

About N-[(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide

N-[(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide (PubChem CID 3345435) has the molecular formula C18H18Br2N2O and a molecular weight of 438.16 g/mol. Its IUPAC name is N-[(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide
PubChem CID3345435
Molecular FormulaC18H18Br2N2O
Molecular Weight438.16 g/mol
Exact Mass435.98
IUPAC NameN-[(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)NN=Cc2cc(Br)c(C)c(Br)c2)cc1C
InChIInChI=1S/C18H18Br2N2O/c1-11-4-5-14(6-12(11)2)9-18(23)22-21-10-15-7-16(19)13(3)17(20)8-15/h4-8,10H,9H2,1-3H3,(H,22,23)
InChIKeyVDZVKXOLKBGQLZ-UHFFFAOYSA-N
XLogP4.83
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.16
LogP ≤ 54.83
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

2-(4-bromophenyl)-N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide
CID 19061362
N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide
CID 21379926
N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 126365212
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 137168040
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-ethylphenyl)acetamide
CID 137168024
N-[(E)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(3,4-dimethylphenyl)acetamide
CID 21379953
N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide
CID 6072446
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethylphenyl)acetamide
CID 6181959
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 137122722
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(4-bromophenyl)acetamide
CID 19061232
N-[(E)-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenyl)acetamide
CID 126364041
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 137168023

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide?
The IUPAC name of N-[(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide (CID 3345435) is N-[(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-[(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for N-[(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)NN=Cc2cc(Br)c(C)c(Br)c2)cc1C.
What is the InChIKey of N-[(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide?
The InChIKey is VDZVKXOLKBGQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Br2N2O/c1-11-4-5-14(6-12(11)2)9-18(23)22-21-10-15-7-16(19)13(3)17(20)8-15/h4-8,10H,9H2,1-3H3,(H,22,23).
What are the key properties of N-[(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide?
N-[(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide has a molecular weight of 438.16 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 3345435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).