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

C16H15Br2N3O3 — CID 3374779

IUPAC2-(3,5-dibromo-4-methylanilino)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide
SMILESCc1c(Br)cc(NCC(=O)NN=Cc2ccc(O)cc2O)cc1Br
InChIInChI=1S/C16H15Br2N3O3/c1-9-13(17)4-11(5-14(9)18)19-8-16(24)21-20-7-10-2-3-12(22)6-15(10)23/h2-7,19,22-23H,8H2,1H3,(H,21,24)
InChIKeySWLVGBVMIUBUEZ-UHFFFAOYSA-N
MW457.12 g/mol
LogP3.49
Rot. Bonds5

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

2-(3,5-dibromo-4-methylanilino)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide (PubChem CID 3374779) has the molecular formula C16H15Br2N3O3 and a molecular weight of 457.12 g/mol. Its IUPAC name is 2-(3,5-dibromo-4-methylanilino)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,5-dibromo-4-methylanilino)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide
PubChem CID3374779
Molecular FormulaC16H15Br2N3O3
Molecular Weight457.12 g/mol
Exact Mass454.95
IUPAC Name2-(3,5-dibromo-4-methylanilino)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide
SMILESCc1c(Br)cc(NCC(=O)NN=Cc2ccc(O)cc2O)cc1Br
InChIInChI=1S/C16H15Br2N3O3/c1-9-13(17)4-11(5-14(9)18)19-8-16(24)21-20-7-10-2-3-12(22)6-15(10)23/h2-7,19,22-23H,8H2,1H3,(H,21,24)
InChIKeySWLVGBVMIUBUEZ-UHFFFAOYSA-N
XLogP3.49
TPSA93.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.12
LogP ≤ 53.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(3,5-dibromo-4-methylanilino)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
CID 767055
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide
CID 135648812
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 135458919
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide
CID 3632618
2-(4-chloro-2-methylanilino)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 3564637
2-(3,5-dibromo-4-methylanilino)-N-[(E)-furan-2-ylmethylideneamino]acetamide
CID 6039229
N-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 3354165
N-[2-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 136732643
N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135644980
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]octanediamide
CID 4632012
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]dodecanediamide
CID 3615111
N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 3885951

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromo-4-methylanilino)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3,5-dibromo-4-methylanilino)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide (CID 3374779) is 2-(3,5-dibromo-4-methylanilino)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3,5-dibromo-4-methylanilino)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3,5-dibromo-4-methylanilino)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide is Cc1c(Br)cc(NCC(=O)NN=Cc2ccc(O)cc2O)cc1Br.
What is the InChIKey of 2-(3,5-dibromo-4-methylanilino)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide?
The InChIKey is SWLVGBVMIUBUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2N3O3/c1-9-13(17)4-11(5-14(9)18)19-8-16(24)21-20-7-10-2-3-12(22)6-15(10)23/h2-7,19,22-23H,8H2,1H3,(H,21,24).
What are the key properties of 2-(3,5-dibromo-4-methylanilino)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide?
2-(3,5-dibromo-4-methylanilino)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide has a molecular weight of 457.12 g/mol, XLogP of 3.49, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromo-4-methylanilino)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 3374779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).