N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide

C16H15Br2N3O2 — CID 135459008

IUPACN-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)N/N=C\c2cc(Br)cc(Br)c2O)cc1
InChIInChI=1S/C16H15Br2N3O2/c1-10-2-4-13(5-3-10)19-9-15(22)21-20-8-11-6-12(17)7-14(18)16(11)23/h2-8,19,23H,9H2,1H3,(H,21,22)/b20-8-
InChIKeyKSYNZOCPDRGNQW-ZBKNUEDVSA-N
MW441.12 g/mol
LogP3.79
Rot. Bonds5

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

N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide (PubChem CID 135459008) has the molecular formula C16H15Br2N3O2 and a molecular weight of 441.12 g/mol. Its IUPAC name is N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
PubChem CID135459008
Molecular FormulaC16H15Br2N3O2
Molecular Weight441.12 g/mol
Exact Mass438.95
IUPAC NameN-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)N/N=C\c2cc(Br)cc(Br)c2O)cc1
InChIInChI=1S/C16H15Br2N3O2/c1-10-2-4-13(5-3-10)19-9-15(22)21-20-8-11-6-12(17)7-14(18)16(11)23/h2-8,19,23H,9H2,1H3,(H,21,22)/b20-8-
InChIKeyKSYNZOCPDRGNQW-ZBKNUEDVSA-N
XLogP3.79
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.12
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dibromo-4-methylanilino)-N'-(2-hydroxy-5-nitrobenzylidene)acetohydrazide
CID 135419707
N'-(3,5-dibromo-2,4-dihydroxybenzylidene)-2-(naphthalen-2-ylamino)acetohydrazide
CID 135476586
CFTR Inhibitor II, GlyH-101
CID 136218970
N'1-(3,5-dibromo-2-hydroxybenzylidene)-4-(dimethylamino)benzene-1-carbohydrazide
CID 135520577
N'-(3-allyl-2-hydroxybenzylidene)-2-(4-toluidino)propanohydrazide
CID 135401434
4-acetamido-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 135460498
N-(4-{[2-(3,5-dibromo-2-hydroxybenzylidene)hydrazino]carbonyl}phenyl)-2-methylpropanamide
CID 135460589
3,5-Dibromo-2-hydroxybenzaldehyde methyl(phenyl)hydrazone
CID 135458878
N''-(2-hydroxy-5-nitrobenzylidene)-2-(3,5-dibromo-4-methylphenylamino)acetohydrazide
CID 135932939
N'-(2-Hydroxybenzylidene)-2-(3-toluidino)acetohydrazide
CID 135479388
2-(2-(2-Hydroxybenzylidene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135459122
N'-(3,5-dibromo-2-hydroxybenzylidene)-4-[(4-methylphenyl)amino]butanohydrazide
CID 135478331

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The IUPAC name of N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide (CID 135459008) is N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide.
What is the SMILES notation for N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The canonical SMILES for N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide is Cc1ccc(NCC(=O)N/N=C\c2cc(Br)cc(Br)c2O)cc1.
What is the InChIKey of N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The InChIKey is KSYNZOCPDRGNQW-ZBKNUEDVSA-N. The full InChI is InChI=1S/C16H15Br2N3O2/c1-10-2-4-13(5-3-10)19-9-15(22)21-20-8-11-6-12(17)7-14(18)16(11)23/h2-8,19,23H,9H2,1H3,(H,21,22)/b20-8-.
What are the key properties of N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide?
N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide has a molecular weight of 441.12 g/mol, XLogP of 3.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide is sourced from PubChem (CID 135459008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).