N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide

C16H11BrF3N3O4 — CID 1419187

IUPACN-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NN=Cc1cc(Br)ccc1O
InChIInChI=1S/C16H11BrF3N3O4/c17-12-3-4-14(24)10(5-12)8-21-22-15(25)6-9-1-2-11(16(18,19)20)7-13(9)23(26)27/h1-5,7-8,24H,6H2,(H,22,25)
InChIKeyWIENPVCVNMAYIC-UHFFFAOYSA-N
MW446.18 g/mol
LogP3.77
Rot. Bonds5

About N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide

N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide (PubChem CID 1419187) has the molecular formula C16H11BrF3N3O4 and a molecular weight of 446.18 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide
PubChem CID1419187
Molecular FormulaC16H11BrF3N3O4
Molecular Weight446.18 g/mol
Exact Mass444.99
IUPAC NameN-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NN=Cc1cc(Br)ccc1O
InChIInChI=1S/C16H11BrF3N3O4/c17-12-3-4-14(24)10(5-12)8-21-22-15(25)6-9-1-2-11(16(18,19)20)7-13(9)23(26)27/h1-5,7-8,24H,6H2,(H,22,25)
InChIKeyWIENPVCVNMAYIC-UHFFFAOYSA-N
XLogP3.77
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.18
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
CID 135521517
N'-(5-bromo-2-hydroxybenzylidene)-3-nitrobenzohydrazide
CID 86261406
N'-(5-Bromo-2-hydroxybenzylidene)-4-nitrobenzohydrazide
CID 135604310
5-Bromo-2-hydroxy-N'-(3-nitrobenzylidene)benzohydrazide
CID 9552807
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 136736722
N-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide
CID 1420854
N'-[(E)-(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-fluorobenzohydrazide
CID 135504494
N'-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-4-fluorobenzohydrazide
CID 135579535
5-bromo-2-hydroxy-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]benzohydrazide
CID 135683580
N'-(3-bromo-2-hydroxy-5-nitrobenzylidene)-4-methylbenzohydrazide
CID 135446539
N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 137275738
N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 137275739

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide (CID 1419187) is N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NN=Cc1cc(Br)ccc1O.
What is the InChIKey of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WIENPVCVNMAYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF3N3O4/c17-12-3-4-14(24)10(5-12)8-21-22-15(25)6-9-1-2-11(16(18,19)20)7-13(9)23(26)27/h1-5,7-8,24H,6H2,(H,22,25).
What are the key properties of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide?
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 446.18 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1419187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).