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

C15H12BrN3O5 — CID 143033660

IUPACN-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)NN=Cc1cc([N+](=O)[O-])cc(Br)c1O
InChIInChI=1S/C15H12BrN3O5/c16-13-7-11(19(23)24)6-10(15(13)22)8-17-18-14(21)5-9-2-1-3-12(20)4-9/h1-4,6-8,20,22H,5H2,(H,18,21)
InChIKeyLLIBYAVHIAQPNL-UHFFFAOYSA-N
MW394.18 g/mol
LogP2.46
Rot. Bonds5

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

N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide (PubChem CID 143033660) has the molecular formula C15H12BrN3O5 and a molecular weight of 394.18 g/mol. Its IUPAC name is N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
PubChem CID143033660
Molecular FormulaC15H12BrN3O5
Molecular Weight394.18 g/mol
Exact Mass393.00
IUPAC NameN-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)NN=Cc1cc([N+](=O)[O-])cc(Br)c1O
InChIInChI=1S/C15H12BrN3O5/c16-13-7-11(19(23)24)6-10(15(13)22)8-17-18-14(21)5-9-2-1-3-12(20)4-9/h1-4,6-8,20,22H,5H2,(H,18,21)
InChIKeyLLIBYAVHIAQPNL-UHFFFAOYSA-N
XLogP2.46
TPSA125.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.18
LogP ≤ 52.46
H-Bond Donors ≤ 53
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

N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 135589181
N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 3383758
N-[(E)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 135579191
2-(4-bromoanilino)-N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 137149865
[(E)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]urea
CID 135504406
N-[(E)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(2-bromo-4-nitrophenoxy)acetamide
CID 135643548
N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 137064436
3,5-dibromo-N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide
CID 137173005
4-bromo-N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 4291162
N-[(E)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 135643368
N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 135905091
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 135405790

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide (CID 143033660) is N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide is O=C(Cc1cccc(O)c1)NN=Cc1cc([N+](=O)[O-])cc(Br)c1O.
What is the InChIKey of N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide?
The InChIKey is LLIBYAVHIAQPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O5/c16-13-7-11(19(23)24)6-10(15(13)22)8-17-18-14(21)5-9-2-1-3-12(20)4-9/h1-4,6-8,20,22H,5H2,(H,18,21).
What are the key properties of N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide?
N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide has a molecular weight of 394.18 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 143033660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).