N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide

C15H13BrN2O2 — CID 4084520

IUPACN-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NN=Cc1cccc(Br)c1
InChIInChI=1S/C15H13BrN2O2/c16-13-6-4-5-12(9-13)10-17-18-15(19)11-20-14-7-2-1-3-8-14/h1-10H,11H2,(H,18,19)
InChIKeyHFDCYGJVPOTARJ-UHFFFAOYSA-N
MW333.19 g/mol
LogP2.98
Rot. Bonds5

About N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide

N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide (PubChem CID 4084520) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide
PubChem CID4084520
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC NameN-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NN=Cc1cccc(Br)c1
InChIInChI=1S/C15H13BrN2O2/c16-13-6-4-5-12(9-13)10-17-18-15(19)11-20-14-7-2-1-3-8-14/h1-10H,11H2,(H,18,19)
InChIKeyHFDCYGJVPOTARJ-UHFFFAOYSA-N
XLogP2.98
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.98
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)-(3-bromophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 19189565
2-[4-[(E)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6909519
N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 5418273
N-[(E)-(3-bromophenyl)methylideneamino]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 42992119
N,N'-bis[(E)-(3-bromophenyl)methylideneamino]propanediamide
CID 6894427
[4-[(Z)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6005273
N-[(Z)-[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenoxy)acetamide
CID 6172690
N,N'-bis[(3-bromophenyl)methylideneamino]butanediamide
CID 3105341
2-(3-bromophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 5391030
N-[(3-bromophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4547272
2-(3-bromophenoxy)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 7606350
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7038077

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide?
The IUPAC name of N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide (CID 4084520) is N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide.
What is the SMILES notation for N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide?
The canonical SMILES for N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide is O=C(COc1ccccc1)NN=Cc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide?
The InChIKey is HFDCYGJVPOTARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c16-13-6-4-5-12(9-13)10-17-18-15(19)11-20-14-7-2-1-3-8-14/h1-10H,11H2,(H,18,19).
What are the key properties of N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide?
N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide has a molecular weight of 333.19 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide is sourced from PubChem (CID 4084520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).