2-(3-bromophenoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide

C15H12BrN3O5 — CID 4216136

IUPAC2-(3-bromophenoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
SMILESO=C(COc1cccc(Br)c1)NN=Cc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C15H12BrN3O5/c16-11-2-1-3-13(7-11)24-9-15(21)18-17-8-10-6-12(19(22)23)4-5-14(10)20/h1-8,20H,9H2,(H,18,21)
InChIKeyPBCPQUIGNUOUHG-UHFFFAOYSA-N
MW394.18 g/mol
LogP2.59
Rot. Bonds6

About 2-(3-bromophenoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide

2-(3-bromophenoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide (PubChem CID 4216136) has the molecular formula C15H12BrN3O5 and a molecular weight of 394.18 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
PubChem CID4216136
Molecular FormulaC15H12BrN3O5
Molecular Weight394.18 g/mol
Exact Mass393.00
IUPAC Name2-(3-bromophenoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
SMILESO=C(COc1cccc(Br)c1)NN=Cc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C15H12BrN3O5/c16-11-2-1-3-13(7-11)24-9-15(21)18-17-8-10-6-12(19(22)23)4-5-14(10)20/h1-8,20H,9H2,(H,18,21)
InChIKeyPBCPQUIGNUOUHG-UHFFFAOYSA-N
XLogP2.59
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.18
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135560373
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-bromophenoxy)acetamide
CID 135419615
2-(3-fluorophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135557639
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 136824462
2-(3-bromophenoxy)-N-[(2,3-dihydroxyphenyl)methylideneamino]acetamide
CID 2641940
N-(3-bromophenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]butanediamide
CID 135420190
2-(1,3-benzodioxol-5-yloxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 4112461
2-(1,3-benzodioxol-5-yloxy)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 136864514
N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(3-chlorophenoxy)acetamide
CID 96881501
N-(3-bromophenyl)-N'-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]pentanediamide
CID 135796257
2-(3-bromophenoxy)-N-[(E)-(2,3-dibromo-4,5-dihydroxyphenyl)methylideneamino]acetamide
CID 135715886
N-[(2-hydroxy-4-methylphenyl)methylideneamino]-2-(3-nitrophenoxy)acetamide
CID 758737

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide (CID 4216136) is 2-(3-bromophenoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide is O=C(COc1cccc(Br)c1)NN=Cc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-(3-bromophenoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The InChIKey is PBCPQUIGNUOUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O5/c16-11-2-1-3-13(7-11)24-9-15(21)18-17-8-10-6-12(19(22)23)4-5-14(10)20/h1-8,20H,9H2,(H,18,21).
What are the key properties of 2-(3-bromophenoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
2-(3-bromophenoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide has a molecular weight of 394.18 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 4216136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).