2-(4-methylanilino)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide

C16H14Br3N3O2 — CID 2249798

IUPAC2-(4-methylanilino)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide
SMILESCc1ccc(NCC(=O)NN=Cc2c(Br)cc(Br)c(O)c2Br)cc1
InChIInChI=1S/C16H14Br3N3O2/c1-9-2-4-10(5-3-9)20-8-14(23)22-21-7-11-12(17)6-13(18)16(24)15(11)19/h2-7,20,24H,8H2,1H3,(H,22,23)
InChIKeyWLFDVSJZNPXPPX-UHFFFAOYSA-N
MW520.02 g/mol
LogP4.55
Rot. Bonds5

About 2-(4-methylanilino)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide

2-(4-methylanilino)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 2249798) has the molecular formula C16H14Br3N3O2 and a molecular weight of 520.02 g/mol. Its IUPAC name is 2-(4-methylanilino)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-methylanilino)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide
PubChem CID2249798
Molecular FormulaC16H14Br3N3O2
Molecular Weight520.02 g/mol
Exact Mass516.86
IUPAC Name2-(4-methylanilino)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide
SMILESCc1ccc(NCC(=O)NN=Cc2c(Br)cc(Br)c(O)c2Br)cc1
InChIInChI=1S/C16H14Br3N3O2/c1-9-2-4-10(5-3-9)20-8-14(23)22-21-7-11-12(17)6-13(18)16(24)15(11)19/h2-7,20,24H,8H2,1H3,(H,22,23)
InChIKeyWLFDVSJZNPXPPX-UHFFFAOYSA-N
XLogP4.55
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.02
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-methylanilino)-N-[(2,4,6-tribromo-3-hydroxyphenyl)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-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 135515696
N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 135419694
N-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 4086824
N-[(5-bromofuran-2-yl)methylideneamino]-2-(4-methylanilino)acetamide
CID 758692
N-(benzylideneamino)-2-(4-methylanilino)acetamide
CID 689462
N-[(Z)-(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 136824224
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide
CID 94842273
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 135579099
2-(2,3-dimethylphenoxy)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide
CID 71950391
N-[(E)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 44615960
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-(4-methylanilino)butanamide
CID 135478331
N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
CID 137022207

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylanilino)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-methylanilino)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide (CID 2249798) is 2-(4-methylanilino)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-methylanilino)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-methylanilino)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide is Cc1ccc(NCC(=O)NN=Cc2c(Br)cc(Br)c(O)c2Br)cc1.
What is the InChIKey of 2-(4-methylanilino)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is WLFDVSJZNPXPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br3N3O2/c1-9-2-4-10(5-3-9)20-8-14(23)22-21-7-11-12(17)6-13(18)16(24)15(11)19/h2-7,20,24H,8H2,1H3,(H,22,23).
What are the key properties of 2-(4-methylanilino)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide?
2-(4-methylanilino)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 520.02 g/mol, XLogP of 4.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylanilino)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 2249798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).