2-(anthracen-2-ylamino)-N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide

C24H19Br2N3O — CID 59770955

IUPAC2-(anthracen-2-ylamino)-N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide
SMILESCc1c(Br)cc(/C=N/NC(=O)CNc2ccc3cc4ccccc4cc3c2)cc1Br
InChIInChI=1S/C24H19Br2N3O/c1-15-22(25)8-16(9-23(15)26)13-28-29-24(30)14-27-21-7-6-19-10-17-4-2-3-5-18(17)11-20(19)12-21/h2-13,27H,14H2,1H3,(H,29,30)/b28-13+
InChIKeyRZXNYRBLABZVNG-XODNFHPESA-N
MW525.24 g/mol
LogP6.39
Rot. Bonds5

About 2-(anthracen-2-ylamino)-N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide

2-(anthracen-2-ylamino)-N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide (PubChem CID 59770955) has the molecular formula C24H19Br2N3O and a molecular weight of 525.24 g/mol. Its IUPAC name is 2-(anthracen-2-ylamino)-N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(anthracen-2-ylamino)-N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide
PubChem CID59770955
Molecular FormulaC24H19Br2N3O
Molecular Weight525.24 g/mol
Exact Mass522.99
IUPAC Name2-(anthracen-2-ylamino)-N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide
SMILESCc1c(Br)cc(/C=N/NC(=O)CNc2ccc3cc4ccccc4cc3c2)cc1Br
InChIInChI=1S/C24H19Br2N3O/c1-15-22(25)8-16(9-23(15)26)13-28-29-24(30)14-27-21-7-6-19-10-17-4-2-3-5-18(17)11-20(19)12-21/h2-13,27H,14H2,1H3,(H,29,30)/b28-13+
InChIKeyRZXNYRBLABZVNG-XODNFHPESA-N
XLogP6.39
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.24
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 71066400
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 1268496
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 135473296
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 687876
N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 6886154
4-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]benzoate
CID 4623297
2-(3,5-dibromo-4-methylanilino)-N-[(E)-furan-2-ylmethylideneamino]acetamide
CID 6039229
2-(4-bromophenyl)-N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide
CID 19061362
2-(3-bromoanilino)-N-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 136670369
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 135515696
N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 4991681
[2,4-dibromo-6-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6286095

Frequently Asked Questions

What is the IUPAC name of 2-(anthracen-2-ylamino)-N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(anthracen-2-ylamino)-N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide (CID 59770955) is 2-(anthracen-2-ylamino)-N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(anthracen-2-ylamino)-N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(anthracen-2-ylamino)-N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide is Cc1c(Br)cc(/C=N/NC(=O)CNc2ccc3cc4ccccc4cc3c2)cc1Br.
What is the InChIKey of 2-(anthracen-2-ylamino)-N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide?
The InChIKey is RZXNYRBLABZVNG-XODNFHPESA-N. The full InChI is InChI=1S/C24H19Br2N3O/c1-15-22(25)8-16(9-23(15)26)13-28-29-24(30)14-27-21-7-6-19-10-17-4-2-3-5-18(17)11-20(19)12-21/h2-13,27H,14H2,1H3,(H,29,30)/b28-13+.
What are the key properties of 2-(anthracen-2-ylamino)-N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide?
2-(anthracen-2-ylamino)-N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide has a molecular weight of 525.24 g/mol, XLogP of 6.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(anthracen-2-ylamino)-N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 59770955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).