N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(4-fluorophenyl)carbamoylamino]acetamide

C16H14BrFN4O3 — CID 135491243

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(4-fluorophenyl)carbamoylamino]acetamide
SMILESO=C(CNC(=O)Nc1ccc(F)cc1)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C16H14BrFN4O3/c17-11-1-6-14(23)10(7-11)8-20-22-15(24)9-19-16(25)21-13-4-2-12(18)3-5-13/h1-8,23H,9H2,(H,22,24)(H2,19,21,25)/b20-8+
InChIKeyDZRUREQAKOCRLG-DNTJNYDQSA-N
MW409.22 g/mol
LogP2.57
Rot. Bonds5

About N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(4-fluorophenyl)carbamoylamino]acetamide

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(4-fluorophenyl)carbamoylamino]acetamide (PubChem CID 135491243) has the molecular formula C16H14BrFN4O3 and a molecular weight of 409.22 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(4-fluorophenyl)carbamoylamino]acetamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(4-fluorophenyl)carbamoylamino]acetamide
PubChem CID135491243
Molecular FormulaC16H14BrFN4O3
Molecular Weight409.22 g/mol
Exact Mass408.02
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(4-fluorophenyl)carbamoylamino]acetamide
SMILESO=C(CNC(=O)Nc1ccc(F)cc1)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C16H14BrFN4O3/c17-11-1-6-14(23)10(7-11)8-20-22-15(24)9-19-16(25)21-13-4-2-12(18)3-5-13/h1-8,23H,9H2,(H,22,24)(H2,19,21,25)/b20-8+
InChIKeyDZRUREQAKOCRLG-DNTJNYDQSA-N
XLogP2.57
TPSA102.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.22
LogP ≤ 52.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(4-fluorophenyl)carbamoylamino]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

5-bromo-2-hydroxybenzaldehyde N-phenylsemicarbazone
CID 135401440
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 135676105
2-(4-fluoroanilino)-N'-[(2-hydroxyphenyl)methylene]acetohydrazide
CID 135698698
N-(4-fluorophenyl)-2-[(2E)-2-(2-hydroxybenzylidene)hydrazino]-2-oxoacetamide
CID 135452595
2-(2-(5-Bromo-2-hydroxybenzylidene)hydrazino)-2-oxo-N-phenylacetamide
CID 135606781
2-(2-(5-Bromo-2-hydroxybenzylidene)hydrazino)-N-(2-chlorophenyl)-2-oxoacetamide
CID 135643518
2-(2-(5-Bromo-2-hydroxybenzylidene)hydrazino)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 135752102
2-(2-(5-Bromo-2-hydroxybenzylidene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135822220
N-(4-fluorophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]oxamide
CID 332353
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide
CID 135491245
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide
CID 135491246
2-[(4-Bromophenyl)amino]-N'-[(E)-(2-hydroxyphenyl)methylidene]acetohydrazide
CID 135699113

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(4-fluorophenyl)carbamoylamino]acetamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(4-fluorophenyl)carbamoylamino]acetamide (CID 135491243) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(4-fluorophenyl)carbamoylamino]acetamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(4-fluorophenyl)carbamoylamino]acetamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(4-fluorophenyl)carbamoylamino]acetamide is O=C(CNC(=O)Nc1ccc(F)cc1)N/N=C/c1cc(Br)ccc1O.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(4-fluorophenyl)carbamoylamino]acetamide?
The InChIKey is DZRUREQAKOCRLG-DNTJNYDQSA-N. The full InChI is InChI=1S/C16H14BrFN4O3/c17-11-1-6-14(23)10(7-11)8-20-22-15(24)9-19-16(25)21-13-4-2-12(18)3-5-13/h1-8,23H,9H2,(H,22,24)(H2,19,21,25)/b20-8+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(4-fluorophenyl)carbamoylamino]acetamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(4-fluorophenyl)carbamoylamino]acetamide has a molecular weight of 409.22 g/mol, XLogP of 2.57, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(4-fluorophenyl)carbamoylamino]acetamide is sourced from PubChem (CID 135491243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).