2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide

C24H24Br2N2O3 — CID 6001406

IUPAC2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide
SMILESCOc1ccc2ccccc2c1/C=N\NC(=O)COc1c(C(C)C)cc(Br)c(C)c1Br
InChIInChI=1S/C24H24Br2N2O3/c1-14(2)18-11-20(25)15(3)23(26)24(18)31-13-22(29)28-27-12-19-17-8-6-5-7-16(17)9-10-21(19)30-4/h5-12,14H,13H2,1-4H3,(H,28,29)/b27-12-
InChIKeyXWUHBMGMLONTNZ-PPDIBHTLSA-N
MW548.28 g/mol
LogP6.33
Rot. Bonds7

About 2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide

2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide (PubChem CID 6001406) has the molecular formula C24H24Br2N2O3 and a molecular weight of 548.28 g/mol. Its IUPAC name is 2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide
PubChem CID6001406
Molecular FormulaC24H24Br2N2O3
Molecular Weight548.28 g/mol
Exact Mass546.02
IUPAC Name2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide
SMILESCOc1ccc2ccccc2c1/C=N\NC(=O)COc1c(C(C)C)cc(Br)c(C)c1Br
InChIInChI=1S/C24H24Br2N2O3/c1-14(2)18-11-20(25)15(3)23(26)24(18)31-13-22(29)28-27-12-19-17-8-6-5-7-16(17)9-10-21(19)30-4/h5-12,14H,13H2,1-4H3,(H,28,29)/b27-12-
InChIKeyXWUHBMGMLONTNZ-PPDIBHTLSA-N
XLogP6.33
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.28
LogP ≤ 56.33
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'}

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Related Compounds

2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 6280107
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)acetamide
CID 46501938
2-[2-[[[2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 4615385
N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide
CID 2265655
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(2-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 3351605
2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135644774
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(3-methoxyphenoxy)acetamide
CID 19208685
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)acetamide
CID 6262375
2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 6183485
N-(anthracen-9-ylmethylideneamino)-2-(2,6-dibromo-4-methoxyphenoxy)acetamide
CID 4540848
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 136750606
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide
CID 19190225

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide (CID 6001406) is 2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide is COc1ccc2ccccc2c1/C=N\NC(=O)COc1c(C(C)C)cc(Br)c(C)c1Br.
What is the InChIKey of 2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide?
The InChIKey is XWUHBMGMLONTNZ-PPDIBHTLSA-N. The full InChI is InChI=1S/C24H24Br2N2O3/c1-14(2)18-11-20(25)15(3)23(26)24(18)31-13-22(29)28-27-12-19-17-8-6-5-7-16(17)9-10-21(19)30-4/h5-12,14H,13H2,1-4H3,(H,28,29)/b27-12-.
What are the key properties of 2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide?
2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide has a molecular weight of 548.28 g/mol, XLogP of 6.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide is sourced from PubChem (CID 6001406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).