2-(2,6-dibromo-4-methylphenoxy)-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide

C17H15Br2FN2O2 — CID 6504950

IUPAC2-(2,6-dibromo-4-methylphenoxy)-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1c(Br)cc(C)cc1Br)c1ccc(F)cc1
InChIInChI=1S/C17H15Br2FN2O2/c1-10-7-14(18)17(15(19)8-10)24-9-16(23)22-21-11(2)12-3-5-13(20)6-4-12/h3-8H,9H2,1-2H3,(H,22,23)/b21-11-
InChIKeyDFKLZIBGGLDZRV-NHDPSOOVSA-N
MW458.13 g/mol
LogP4.58
Rot. Bonds5

About 2-(2,6-dibromo-4-methylphenoxy)-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide

2-(2,6-dibromo-4-methylphenoxy)-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide (PubChem CID 6504950) has the molecular formula C17H15Br2FN2O2 and a molecular weight of 458.13 g/mol. Its IUPAC name is 2-(2,6-dibromo-4-methylphenoxy)-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,6-dibromo-4-methylphenoxy)-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
PubChem CID6504950
Molecular FormulaC17H15Br2FN2O2
Molecular Weight458.13 g/mol
Exact Mass455.95
IUPAC Name2-(2,6-dibromo-4-methylphenoxy)-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1c(Br)cc(C)cc1Br)c1ccc(F)cc1
InChIInChI=1S/C17H15Br2FN2O2/c1-10-7-14(18)17(15(19)8-10)24-9-16(23)22-21-11(2)12-3-5-13(20)6-4-12/h3-8H,9H2,1-2H3,(H,22,23)/b21-11-
InChIKeyDFKLZIBGGLDZRV-NHDPSOOVSA-N
XLogP4.58
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.13
LogP ≤ 54.58
H-Bond Donors ≤ 51
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'}

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Related Compounds

2-(2,6-dibromo-4-methylphenoxy)-N-[(E)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 46501283
2-(2,6-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide
CID 763872
2-(2,4-dimethylphenoxy)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 92847264
2-(2,4-dibromo-6-methylphenoxy)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 6127038
2-(2-bromo-4-methylphenoxy)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 6123669
N-[1-(4-chlorophenyl)ethylideneamino]-4-[(2,6-dibromo-4-methylphenoxy)methyl]benzamide
CID 3906048
N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,6-dimethylphenoxy)acetamide
CID 909276
2-(2,6-dibromo-4-methylphenoxy)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 129440342
N-[1-(4-tert-butylphenyl)ethylideneamino]-2-(3,5-dimethylphenoxy)acetamide
CID 1154035
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenoxy)acetamide
CID 5398012
N-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide
CID 3367043
2-(2-bromo-4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 4926099

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromo-4-methylphenoxy)-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(2,6-dibromo-4-methylphenoxy)-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide (CID 6504950) is 2-(2,6-dibromo-4-methylphenoxy)-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(2,6-dibromo-4-methylphenoxy)-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(2,6-dibromo-4-methylphenoxy)-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide is C/C(=N/NC(=O)COc1c(Br)cc(C)cc1Br)c1ccc(F)cc1.
What is the InChIKey of 2-(2,6-dibromo-4-methylphenoxy)-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide?
The InChIKey is DFKLZIBGGLDZRV-NHDPSOOVSA-N. The full InChI is InChI=1S/C17H15Br2FN2O2/c1-10-7-14(18)17(15(19)8-10)24-9-16(23)22-21-11(2)12-3-5-13(20)6-4-12/h3-8H,9H2,1-2H3,(H,22,23)/b21-11-.
What are the key properties of 2-(2,6-dibromo-4-methylphenoxy)-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide?
2-(2,6-dibromo-4-methylphenoxy)-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide has a molecular weight of 458.13 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromo-4-methylphenoxy)-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide is sourced from PubChem (CID 6504950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).