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

C16H13Br3N2O — CID 19061362

IUPAC2-(4-bromophenyl)-N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide
SMILESCc1c(Br)cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc1Br
InChIInChI=1S/C16H13Br3N2O/c1-10-14(18)6-12(7-15(10)19)9-20-21-16(22)8-11-2-4-13(17)5-3-11/h2-7,9H,8H2,1H3,(H,21,22)/b20-9-
InChIKeyJTKTYMUREKIWLA-UKWGHVSLSA-N
MW489.01 g/mol
LogP4.98
Rot. Bonds4

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

2-(4-bromophenyl)-N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide (PubChem CID 19061362) has the molecular formula C16H13Br3N2O and a molecular weight of 489.01 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide
PubChem CID19061362
Molecular FormulaC16H13Br3N2O
Molecular Weight489.01 g/mol
Exact Mass485.86
IUPAC Name2-(4-bromophenyl)-N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide
SMILESCc1c(Br)cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc1Br
InChIInChI=1S/C16H13Br3N2O/c1-10-14(18)6-12(7-15(10)19)9-20-21-16(22)8-11-2-4-13(17)5-3-11/h2-7,9H,8H2,1H3,(H,21,22)/b20-9-
InChIKeyJTKTYMUREKIWLA-UKWGHVSLSA-N
XLogP4.98
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.01
LogP ≤ 54.98
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-[(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide
CID 3345435
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(4-bromophenyl)acetamide
CID 19061232
N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 126365212
N-[(E)-(4-bromophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide
CID 126368486
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-ethylphenyl)acetamide
CID 137168024
2-(4-bromophenyl)-N-[(E)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 98050540
2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methylideneamino]acetamide
CID 3426300
N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(4-bromophenyl)acetamide
CID 93066684
N-[(E)-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-(4-bromophenyl)acetamide
CID 19061565
2-(4-bromophenyl)-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide
CID 135579428
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 137122722
N-[(E)-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenyl)acetamide
CID 126364041

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide (CID 19061362) is 2-(4-bromophenyl)-N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide is Cc1c(Br)cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc1Br.
What is the InChIKey of 2-(4-bromophenyl)-N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide?
The InChIKey is JTKTYMUREKIWLA-UKWGHVSLSA-N. The full InChI is InChI=1S/C16H13Br3N2O/c1-10-14(18)6-12(7-15(10)19)9-20-21-16(22)8-11-2-4-13(17)5-3-11/h2-7,9H,8H2,1H3,(H,21,22)/b20-9-.
What are the key properties of 2-(4-bromophenyl)-N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide?
2-(4-bromophenyl)-N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide has a molecular weight of 489.01 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 19061362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).