N-[(2,3-dichlorophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide

C15H9Br3Cl2N2O2 — CID 2246193

IUPACN-[(2,3-dichlorophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
SMILESO=C(COc1c(Br)cc(Br)cc1Br)NN=Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H9Br3Cl2N2O2/c16-9-4-10(17)15(11(18)5-9)24-7-13(23)22-21-6-8-2-1-3-12(19)14(8)20/h1-6H,7H2,(H,22,23)
InChIKeyMUOMTNJXHYPPBU-UHFFFAOYSA-N
MW559.87 g/mol
LogP5.81
Rot. Bonds5

About N-[(2,3-dichlorophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide

N-[(2,3-dichlorophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide (PubChem CID 2246193) has the molecular formula C15H9Br3Cl2N2O2 and a molecular weight of 559.87 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
PubChem CID2246193
Molecular FormulaC15H9Br3Cl2N2O2
Molecular Weight559.87 g/mol
Exact Mass555.76
IUPAC NameN-[(2,3-dichlorophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
SMILESO=C(COc1c(Br)cc(Br)cc1Br)NN=Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H9Br3Cl2N2O2/c16-9-4-10(17)15(11(18)5-9)24-7-13(23)22-21-6-8-2-1-3-12(19)14(8)20/h1-6H,7H2,(H,22,23)
InChIKeyMUOMTNJXHYPPBU-UHFFFAOYSA-N
XLogP5.81
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.87
LogP ≤ 55.81
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-(3-bromophenoxy)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 7738182
2-(2,3-dichlorophenoxy)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 45055184
[2,4-dibromo-6-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
CID 6278970
N-[(E)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 135644256
2-(2-bromophenoxy)-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide
CID 6083444
[4-[[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 3513116
2-(2,3-dichlorophenoxy)-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 4059063
N-[(E)-(2,3-dichlorophenyl)methylideneamino]propanamide
CID 154646210
2-(2,3-dichlorophenoxy)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136808275
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 171981130
4-chloro-N-[(E)-[3,5-dibromo-2-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126262697
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 6877054

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide?
The IUPAC name of N-[(2,3-dichlorophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide (CID 2246193) is N-[(2,3-dichlorophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide is O=C(COc1c(Br)cc(Br)cc1Br)NN=Cc1cccc(Cl)c1Cl.
What is the InChIKey of N-[(2,3-dichlorophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide?
The InChIKey is MUOMTNJXHYPPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br3Cl2N2O2/c16-9-4-10(17)15(11(18)5-9)24-7-13(23)22-21-6-8-2-1-3-12(19)14(8)20/h1-6H,7H2,(H,22,23).
What are the key properties of N-[(2,3-dichlorophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide?
N-[(2,3-dichlorophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide has a molecular weight of 559.87 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide is sourced from PubChem (CID 2246193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).