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

C15H10Br3N3O5 — CID 3823669

IUPACN-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
SMILESO=C(COc1c(Br)cc(Br)cc1Br)NN=Cc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H10Br3N3O5/c16-9-4-10(17)15(11(18)5-9)26-7-14(23)20-19-6-8-1-2-13(22)12(3-8)21(24)25/h1-6,22H,7H2,(H,20,23)
InChIKeyUAZLRPVCCNWZQU-UHFFFAOYSA-N
MW551.97 g/mol
LogP4.12
Rot. Bonds6

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

N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide (PubChem CID 3823669) has the molecular formula C15H10Br3N3O5 and a molecular weight of 551.97 g/mol. Its IUPAC name is N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
PubChem CID3823669
Molecular FormulaC15H10Br3N3O5
Molecular Weight551.97 g/mol
Exact Mass548.82
IUPAC NameN-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
SMILESO=C(COc1c(Br)cc(Br)cc1Br)NN=Cc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H10Br3N3O5/c16-9-4-10(17)15(11(18)5-9)26-7-14(23)20-19-6-8-1-2-13(22)12(3-8)21(24)25/h1-6,22H,7H2,(H,20,23)
InChIKeyUAZLRPVCCNWZQU-UHFFFAOYSA-N
XLogP4.12
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.97
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 6229195
N-[(E)-(3-nitro-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 16760828
N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 135679327
N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide
CID 136699135
2-(2,5-dichlorophenoxy)-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide
CID 135610802
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 135533086
2-(2-cyanophenoxy)-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide
CID 3316109
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 6885676
2-[3-(dimethylamino)phenoxy]-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide
CID 137080274
2-(2,4-dibromo-6-methylphenoxy)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135560414
N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3575093
[3-[[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 2852890

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide?
The IUPAC name of N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide (CID 3823669) is N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide.
What is the SMILES notation for N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide?
The canonical SMILES for N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide is O=C(COc1c(Br)cc(Br)cc1Br)NN=Cc1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide?
The InChIKey is UAZLRPVCCNWZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br3N3O5/c16-9-4-10(17)15(11(18)5-9)26-7-14(23)20-19-6-8-1-2-13(22)12(3-8)21(24)25/h1-6,22H,7H2,(H,20,23).
What are the key properties of N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide?
N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide has a molecular weight of 551.97 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide is sourced from PubChem (CID 3823669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).