2-(3-bromophenoxy)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide

C15H11BrCl2N2O2 — CID 7738182

IUPAC2-(3-bromophenoxy)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
SMILESO=C(COc1cccc(Br)c1)N/N=C\c1cccc(Cl)c1Cl
InChIInChI=1S/C15H11BrCl2N2O2/c16-11-4-2-5-12(7-11)22-9-14(21)20-19-8-10-3-1-6-13(17)15(10)18/h1-8H,9H2,(H,20,21)/b19-8-
InChIKeySXMULUNQJCANQQ-UWVJOHFNSA-N
MW402.08 g/mol
LogP4.28
Rot. Bonds5

About 2-(3-bromophenoxy)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide

2-(3-bromophenoxy)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide (PubChem CID 7738182) has the molecular formula C15H11BrCl2N2O2 and a molecular weight of 402.08 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
PubChem CID7738182
Molecular FormulaC15H11BrCl2N2O2
Molecular Weight402.08 g/mol
Exact Mass399.94
IUPAC Name2-(3-bromophenoxy)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
SMILESO=C(COc1cccc(Br)c1)N/N=C\c1cccc(Cl)c1Cl
InChIInChI=1S/C15H11BrCl2N2O2/c16-11-4-2-5-12(7-11)22-9-14(21)20-19-8-10-3-1-6-13(17)15(10)18/h1-8H,9H2,(H,20,21)/b19-8-
InChIKeySXMULUNQJCANQQ-UWVJOHFNSA-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-[(2,3-dichlorophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 2246193
2-(3-bromophenoxy)-N-[(2,3-dihydroxyphenyl)methylideneamino]acetamide
CID 2641940
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-bromophenoxy)acetamide
CID 135419615
2-(3-bromophenoxy)-N-[(2-methoxyphenyl)methylideneamino]acetamide
CID 598847
2-(2,3-dichlorophenoxy)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 45055184
2-(3-bromophenoxy)-N-[(E)-(2,3-dibromo-4,5-dihydroxyphenyl)methylideneamino]acetamide
CID 135715886
2-(3-bromophenoxy)-N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]acetamide
CID 6144474
2-(3-bromophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 19190475
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 6877054
ethyl 2-[2-[[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 1034871
2-(3-bromophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 5391030
2-[4-[(E)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6909519

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide (CID 7738182) is 2-(3-bromophenoxy)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide is O=C(COc1cccc(Br)c1)N/N=C\c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(3-bromophenoxy)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide?
The InChIKey is SXMULUNQJCANQQ-UWVJOHFNSA-N. The full InChI is InChI=1S/C15H11BrCl2N2O2/c16-11-4-2-5-12(7-11)22-9-14(21)20-19-8-10-3-1-6-13(17)15(10)18/h1-8H,9H2,(H,20,21)/b19-8-.
What are the key properties of 2-(3-bromophenoxy)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide?
2-(3-bromophenoxy)-N-[(Z)-(2,3-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-(3-bromophenoxy)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 7738182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).