N-(anthracen-9-ylmethylideneamino)-2-(2,6-dibromo-4-methoxyphenoxy)acetamide

C24H18Br2N2O3 — CID 4540848

IUPACN-(anthracen-9-ylmethylideneamino)-2-(2,6-dibromo-4-methoxyphenoxy)acetamide
SMILESCOc1cc(Br)c(OCC(=O)NN=Cc2c3ccccc3cc3ccccc23)c(Br)c1
InChIInChI=1S/C24H18Br2N2O3/c1-30-17-11-21(25)24(22(26)12-17)31-14-23(29)28-27-13-20-18-8-4-2-6-15(18)10-16-7-3-5-9-19(16)20/h2-13H,14H2,1H3,(H,28,29)
InChIKeyMOUMEDQSODUSMT-UHFFFAOYSA-N
MW542.23 g/mol
LogP6.06
Rot. Bonds6

About N-(anthracen-9-ylmethylideneamino)-2-(2,6-dibromo-4-methoxyphenoxy)acetamide

N-(anthracen-9-ylmethylideneamino)-2-(2,6-dibromo-4-methoxyphenoxy)acetamide (PubChem CID 4540848) has the molecular formula C24H18Br2N2O3 and a molecular weight of 542.23 g/mol. Its IUPAC name is N-(anthracen-9-ylmethylideneamino)-2-(2,6-dibromo-4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(anthracen-9-ylmethylideneamino)-2-(2,6-dibromo-4-methoxyphenoxy)acetamide
PubChem CID4540848
Molecular FormulaC24H18Br2N2O3
Molecular Weight542.23 g/mol
Exact Mass539.97
IUPAC NameN-(anthracen-9-ylmethylideneamino)-2-(2,6-dibromo-4-methoxyphenoxy)acetamide
SMILESCOc1cc(Br)c(OCC(=O)NN=Cc2c3ccccc3cc3ccccc23)c(Br)c1
InChIInChI=1S/C24H18Br2N2O3/c1-30-17-11-21(25)24(22(26)12-17)31-14-23(29)28-27-13-20-18-8-4-2-6-15(18)10-16-7-3-5-9-19(16)20/h2-13H,14H2,1H3,(H,28,29)
InChIKeyMOUMEDQSODUSMT-UHFFFAOYSA-N
XLogP6.06
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.23
LogP ≤ 56.06
H-Bond Donors ≤ 51
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(anthracen-9-ylmethylideneamino)-2-(4-ethylphenoxy)acetamide
CID 3363450
N-[(E)-anthracen-9-ylmethylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 5334294
N-[(E)-anthracen-9-ylmethylideneamino]-2-(3-chlorophenoxy)acetamide
CID 7334026
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-cyanophenoxy)acetamide
CID 9316542
N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide
CID 2265655
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(3-methoxyphenoxy)acetamide
CID 19208685
2-(2,6-dibromo-4-methoxyphenoxy)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 3980653
N-[(E)-anthracen-9-ylmethylideneamino]-2-(2,3-dichlorophenoxy)acetamide
CID 45055199
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-pentylphenoxy)acetamide
CID 5375690
N-(anthracen-9-ylmethylideneamino)-2-(4-pentylphenoxy)acetamide
CID 609044
N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-(2,6-dibromo-4-methoxyphenoxy)acetamide
CID 136720696
2-(2,6-dibromo-4-methoxyphenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135717336

Frequently Asked Questions

What is the IUPAC name of N-(anthracen-9-ylmethylideneamino)-2-(2,6-dibromo-4-methoxyphenoxy)acetamide?
The IUPAC name of N-(anthracen-9-ylmethylideneamino)-2-(2,6-dibromo-4-methoxyphenoxy)acetamide (CID 4540848) is N-(anthracen-9-ylmethylideneamino)-2-(2,6-dibromo-4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(anthracen-9-ylmethylideneamino)-2-(2,6-dibromo-4-methoxyphenoxy)acetamide?
The canonical SMILES for N-(anthracen-9-ylmethylideneamino)-2-(2,6-dibromo-4-methoxyphenoxy)acetamide is COc1cc(Br)c(OCC(=O)NN=Cc2c3ccccc3cc3ccccc23)c(Br)c1.
What is the InChIKey of N-(anthracen-9-ylmethylideneamino)-2-(2,6-dibromo-4-methoxyphenoxy)acetamide?
The InChIKey is MOUMEDQSODUSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Br2N2O3/c1-30-17-11-21(25)24(22(26)12-17)31-14-23(29)28-27-13-20-18-8-4-2-6-15(18)10-16-7-3-5-9-19(16)20/h2-13H,14H2,1H3,(H,28,29).
What are the key properties of N-(anthracen-9-ylmethylideneamino)-2-(2,6-dibromo-4-methoxyphenoxy)acetamide?
N-(anthracen-9-ylmethylideneamino)-2-(2,6-dibromo-4-methoxyphenoxy)acetamide has a molecular weight of 542.23 g/mol, XLogP of 6.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(anthracen-9-ylmethylideneamino)-2-(2,6-dibromo-4-methoxyphenoxy)acetamide is sourced from PubChem (CID 4540848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).