2-(4-bromophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide

C15H11BrCl2N2O2 — CID 1245916

IUPAC2-(4-bromophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide
SMILESO=C(COc1ccc(Br)cc1)NN=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H11BrCl2N2O2/c16-10-4-6-11(7-5-10)22-9-15(21)20-19-8-12-13(17)2-1-3-14(12)18/h1-8H,9H2,(H,20,21)
InChIKeyFMLOGINVRMIRMP-UHFFFAOYSA-N
MW402.08 g/mol
LogP4.28
Rot. Bonds5

About 2-(4-bromophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide

2-(4-bromophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide (PubChem CID 1245916) has the molecular formula C15H11BrCl2N2O2 and a molecular weight of 402.08 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide
PubChem CID1245916
Molecular FormulaC15H11BrCl2N2O2
Molecular Weight402.08 g/mol
Exact Mass399.94
IUPAC Name2-(4-bromophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide
SMILESO=C(COc1ccc(Br)cc1)NN=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H11BrCl2N2O2/c16-10-4-6-11(7-5-10)22-9-15(21)20-19-8-12-13(17)2-1-3-14(12)18/h1-8H,9H2,(H,20,21)
InChIKeyFMLOGINVRMIRMP-UHFFFAOYSA-N
XLogP4.28
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.08
LogP ≤ 54.28
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

N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(4-ethoxyphenoxy)acetamide
CID 19189673
2-(4-bromophenoxy)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]acetamide
CID 9359053
N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 2695109
2-(4-bromo-2-ethylphenoxy)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide
CID 19208334
2-(4-tert-butylphenoxy)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide
CID 5450012
2-(4-bromophenoxy)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 5417368
2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 5427428
2-(4-bromophenoxy)-N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 45054335
2-(3-bromophenoxy)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 7738182
2-(4-bromophenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide
CID 19190726
2-(4-bromophenoxy)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135560371
[3-[(Z)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 6015502

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide (CID 1245916) is 2-(4-bromophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide is O=C(COc1ccc(Br)cc1)NN=Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide?
The InChIKey is FMLOGINVRMIRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2N2O2/c16-10-4-6-11(7-5-10)22-9-15(21)20-19-8-12-13(17)2-1-3-14(12)18/h1-8H,9H2,(H,20,21).
What are the key properties of 2-(4-bromophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide?
2-(4-bromophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide has a molecular weight of 402.08 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 1245916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).