N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide

C16H16BrN3O2 — CID 135501898

IUPACN-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)N/N=C\c2cc(Br)ccc2O)cc1
InChIInChI=1S/C16H16BrN3O2/c1-11-2-5-14(6-3-11)18-10-16(22)20-19-9-12-8-13(17)4-7-15(12)21/h2-9,18,21H,10H2,1H3,(H,20,22)/b19-9-
InChIKeyPXJCZRMPXBDNSX-OCKHKDLRSA-N
MW362.23 g/mol
LogP3.03
Rot. Bonds5

About N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide

N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide (PubChem CID 135501898) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
PubChem CID135501898
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC NameN-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)N/N=C\c2cc(Br)ccc2O)cc1
InChIInChI=1S/C16H16BrN3O2/c1-11-2-5-14(6-3-11)18-10-16(22)20-19-9-12-8-13(17)4-7-15(12)21/h2-9,18,21H,10H2,1H3,(H,20,22)/b19-9-
InChIKeyPXJCZRMPXBDNSX-OCKHKDLRSA-N
XLogP3.03
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 53.03
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-(2-(3-Allyl-2-hydroxybenzylidene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135433321
2-(3,5-dibromo-4-methylanilino)-N'-(2-hydroxy-5-nitrobenzylidene)acetohydrazide
CID 135419707
4-[(2E)-2-(2-hydroxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135683576
2-[(2E)-2-(5-bromo-2-hydroxybenzylidene)hydrazino]-N-(2-ethoxyphenyl)-2-oxoacetamide
CID 135439741
2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-N-(2-methylphenyl)-2-oxoacetamide
CID 135419636
N'-[(1E)-(5-bromo-2-methoxyphenyl)methylene]-2-[(4-methoxyphenyl)amino]propanohydrazide
CID 46498191
N'-(3-allyl-2-hydroxybenzylidene)-2-(4-toluidino)propanohydrazide
CID 135401434
N'-[(1E)-(3-allyl-2-hydroxyphenyl)methylene]-2-[(3-methylphenyl)amino]propanohydrazide
CID 135439753
N'-(3-allyl-2-hydroxybenzylidene)-2-anilinoacetohydrazide
CID 135490294
N-(4-Bromophenyl)-3-{N'-[(E)-(4-hydroxyphenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135609369
N''-(2-hydroxy-5-nitrobenzylidene)-2-(3,5-dibromo-4-methylphenylamino)acetohydrazide
CID 135932939
N'-(2-Hydroxybenzylidene)-2-(3-toluidino)acetohydrazide
CID 135479388

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The IUPAC name of N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide (CID 135501898) is N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide.
What is the SMILES notation for N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The canonical SMILES for N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide is Cc1ccc(NCC(=O)N/N=C\c2cc(Br)ccc2O)cc1.
What is the InChIKey of N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The InChIKey is PXJCZRMPXBDNSX-OCKHKDLRSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c1-11-2-5-14(6-3-11)18-10-16(22)20-19-9-12-8-13(17)4-7-15(12)21/h2-9,18,21H,10H2,1H3,(H,20,22)/b19-9-.
What are the key properties of N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide?
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide has a molecular weight of 362.23 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide is sourced from PubChem (CID 135501898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).