N-[(2-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide

C15H12BrClN2O2 — CID 2311965

IUPACN-[(2-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NN=Cc1ccccc1Br
InChIInChI=1S/C15H12BrClN2O2/c16-14-4-2-1-3-11(14)9-18-19-15(20)10-21-13-7-5-12(17)6-8-13/h1-9H,10H2,(H,19,20)
InChIKeyQNJRRIQLCFCRQE-UHFFFAOYSA-N
MW367.63 g/mol
LogP3.63
Rot. Bonds5

About N-[(2-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide

N-[(2-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide (PubChem CID 2311965) has the molecular formula C15H12BrClN2O2 and a molecular weight of 367.63 g/mol. Its IUPAC name is N-[(2-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
PubChem CID2311965
Molecular FormulaC15H12BrClN2O2
Molecular Weight367.63 g/mol
Exact Mass365.98
IUPAC NameN-[(2-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NN=Cc1ccccc1Br
InChIInChI=1S/C15H12BrClN2O2/c16-14-4-2-1-3-11(14)9-18-19-15(20)10-21-13-7-5-12(17)6-8-13/h1-9H,10H2,(H,19,20)
InChIKeyQNJRRIQLCFCRQE-UHFFFAOYSA-N
XLogP3.63
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.63
LogP ≤ 53.63
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-[(Z)-(2-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 5414432
2-(4-chlorophenoxy)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
CID 5334474
N-[(E)-(2-bromophenyl)methylideneamino]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 42992144
2-(4-chlorophenoxy)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6899394
N-[(Z)-(2-bromophenyl)methylideneamino]-2-(4-chloro-2-methylphenoxy)acetamide
CID 9317278
N-[(2-bromophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 2695035
2-(2-bromophenoxy)-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide
CID 6083444
2-(4-chlorophenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide
CID 6897199
2-(4-chlorophenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
CID 135578464
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 6287016
2-(4-bromophenoxy)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 5417368
[4-bromo-2-[[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 3563427

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[(2-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide (CID 2311965) is N-[(2-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[(2-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[(2-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1)NN=Cc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide?
The InChIKey is QNJRRIQLCFCRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O2/c16-14-4-2-1-3-11(14)9-18-19-15(20)10-21-13-7-5-12(17)6-8-13/h1-9H,10H2,(H,19,20).
What are the key properties of N-[(2-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide?
N-[(2-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide has a molecular weight of 367.63 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 2311965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).