(2E)-2-[(5-bromothiophen-3-yl)methoxyimino]-N-(2,4-difluorophenyl)acetamide

C13H9BrF2N2O2S — CID 75404376

IUPAC(2E)-2-[(5-bromothiophen-3-yl)methoxyimino]-N-(2,4-difluorophenyl)acetamide
SMILESO=C(/C=N/OCc1csc(Br)c1)Nc1ccc(F)cc1F
InChIInChI=1S/C13H9BrF2N2O2S/c14-12-3-8(7-21-12)6-20-17-5-13(19)18-11-2-1-9(15)4-10(11)16/h1-5,7H,6H2,(H,18,19)/b17-5+
InChIKeyYPIIUNUJHHVZOY-YAXRCOADSA-N
MW375.19 g/mol
LogP3.93
Rot. Bonds5

About (2E)-2-[(5-bromothiophen-3-yl)methoxyimino]-N-(2,4-difluorophenyl)acetamide

(2E)-2-[(5-bromothiophen-3-yl)methoxyimino]-N-(2,4-difluorophenyl)acetamide (PubChem CID 75404376) has the molecular formula C13H9BrF2N2O2S and a molecular weight of 375.19 g/mol. Its IUPAC name is (2E)-2-[(5-bromothiophen-3-yl)methoxyimino]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name(2E)-2-[(5-bromothiophen-3-yl)methoxyimino]-N-(2,4-difluorophenyl)acetamide
PubChem CID75404376
Molecular FormulaC13H9BrF2N2O2S
Molecular Weight375.19 g/mol
Exact Mass373.95
IUPAC Name(2E)-2-[(5-bromothiophen-3-yl)methoxyimino]-N-(2,4-difluorophenyl)acetamide
SMILESO=C(/C=N/OCc1csc(Br)c1)Nc1ccc(F)cc1F
InChIInChI=1S/C13H9BrF2N2O2S/c14-12-3-8(7-21-12)6-20-17-5-13(19)18-11-2-1-9(15)4-10(11)16/h1-5,7H,6H2,(H,18,19)/b17-5+
InChIKeyYPIIUNUJHHVZOY-YAXRCOADSA-N
XLogP3.93
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.19
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2E)-2-[(5-bromothiophen-3-yl)methoxyimino]-N-(2,4-difluorophenyl)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

3-[[[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxymethyl]benzamide
CID 76865752
N-(2,4-difluorophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxyimino]acetamide
CID 71849855
2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-(4-methylphenyl)acetamide
CID 60528918
N-(2,4-difluorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxyimino]acetamide
CID 76865743
2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 55871035
4-[[(E)-[2-(5-fluoro-2-methylanilino)-2-oxoethylidene]amino]oxymethyl]benzamide
CID 75364546
N-(2,4-difluorophenyl)-2-oxoacetamide
CID 115165918
N-(2,4-difluorophenyl)prop-2-enamide
CID 23202681
(3E)-N-(2,4-difluorophenyl)-3-[(4-nitrophenyl)methoxyimino]propanamide
CID 20850504
2-[(4-bromo-2-fluorophenyl)methoxyimino]-N-(2-methylphenyl)acetamide
CID 2108303
2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 55870520
2-(4-bromophenyl)-N-(2,4-difluorophenyl)acetamide
CID 884138

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(5-bromothiophen-3-yl)methoxyimino]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of (2E)-2-[(5-bromothiophen-3-yl)methoxyimino]-N-(2,4-difluorophenyl)acetamide (CID 75404376) is (2E)-2-[(5-bromothiophen-3-yl)methoxyimino]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for (2E)-2-[(5-bromothiophen-3-yl)methoxyimino]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for (2E)-2-[(5-bromothiophen-3-yl)methoxyimino]-N-(2,4-difluorophenyl)acetamide is O=C(/C=N/OCc1csc(Br)c1)Nc1ccc(F)cc1F.
What is the InChIKey of (2E)-2-[(5-bromothiophen-3-yl)methoxyimino]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is YPIIUNUJHHVZOY-YAXRCOADSA-N. The full InChI is InChI=1S/C13H9BrF2N2O2S/c14-12-3-8(7-21-12)6-20-17-5-13(19)18-11-2-1-9(15)4-10(11)16/h1-5,7H,6H2,(H,18,19)/b17-5+.
What are the key properties of (2E)-2-[(5-bromothiophen-3-yl)methoxyimino]-N-(2,4-difluorophenyl)acetamide?
(2E)-2-[(5-bromothiophen-3-yl)methoxyimino]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 375.19 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(5-bromothiophen-3-yl)methoxyimino]-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 75404376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).