N'-(2-chloro-5-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide

C14H12ClFN2O3S — CID 111444382

IUPACN'-(2-chloro-5-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide
SMILESO=C(NCC(O)c1ccsc1)C(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C14H12ClFN2O3S/c15-10-2-1-9(16)5-11(10)18-14(21)13(20)17-6-12(19)8-3-4-22-7-8/h1-5,7,12,19H,6H2,(H,17,20)(H,18,21)
InChIKeyWCHBHAQJKBKHFK-UHFFFAOYSA-N
MW342.78 g/mol
LogP2.33
Rot. Bonds4

About N'-(2-chloro-5-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide

N'-(2-chloro-5-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide (PubChem CID 111444382) has the molecular formula C14H12ClFN2O3S and a molecular weight of 342.78 g/mol. Its IUPAC name is N'-(2-chloro-5-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(2-chloro-5-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide
PubChem CID111444382
Molecular FormulaC14H12ClFN2O3S
Molecular Weight342.78 g/mol
Exact Mass342.02
IUPAC NameN'-(2-chloro-5-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide
SMILESO=C(NCC(O)c1ccsc1)C(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C14H12ClFN2O3S/c15-10-2-1-9(16)5-11(10)18-14(21)13(20)17-6-12(19)8-3-4-22-7-8/h1-5,7,12,19H,6H2,(H,17,20)(H,18,21)
InChIKeyWCHBHAQJKBKHFK-UHFFFAOYSA-N
XLogP2.33
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(2,4-difluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide
CID 86264161
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methylphenyl)oxamide
CID 90496639
1-(4-fluorophenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 90496696
N'-(2-ethoxyphenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide
CID 90496673
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 90496666
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 90496691
2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686528
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide
CID 90496631
3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-5-carboxamide
CID 111441740
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide
CID 90496686
2-chloro-6-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 52992615
3-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 106434334

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-5-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide?
The IUPAC name of N'-(2-chloro-5-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide (CID 111444382) is N'-(2-chloro-5-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide.
What is the SMILES notation for N'-(2-chloro-5-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide?
The canonical SMILES for N'-(2-chloro-5-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide is O=C(NCC(O)c1ccsc1)C(=O)Nc1cc(F)ccc1Cl.
What is the InChIKey of N'-(2-chloro-5-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide?
The InChIKey is WCHBHAQJKBKHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O3S/c15-10-2-1-9(16)5-11(10)18-14(21)13(20)17-6-12(19)8-3-4-22-7-8/h1-5,7,12,19H,6H2,(H,17,20)(H,18,21).
What are the key properties of N'-(2-chloro-5-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide?
N'-(2-chloro-5-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide has a molecular weight of 342.78 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-5-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide is sourced from PubChem (CID 111444382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).