N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide

C15H14F2N2O3S — CID 71782404

IUPACN'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
SMILESCC(O)(CNC(=O)C(=O)Nc1cc(F)ccc1F)c1cccs1
InChIInChI=1S/C15H14F2N2O3S/c1-15(22,12-3-2-6-23-12)8-18-13(20)14(21)19-11-7-9(16)4-5-10(11)17/h2-7,22H,8H2,1H3,(H,18,20)(H,19,21)
InChIKeyTVNQKKBGWOLTAR-UHFFFAOYSA-N
MW340.35 g/mol
LogP1.99
Rot. Bonds4

About N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide

N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide (PubChem CID 71782404) has the molecular formula C15H14F2N2O3S and a molecular weight of 340.35 g/mol. Its IUPAC name is N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
PubChem CID71782404
Molecular FormulaC15H14F2N2O3S
Molecular Weight340.35 g/mol
Exact Mass340.07
IUPAC NameN'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
SMILESCC(O)(CNC(=O)C(=O)Nc1cc(F)ccc1F)c1cccs1
InChIInChI=1S/C15H14F2N2O3S/c1-15(22,12-3-2-6-23-12)8-18-13(20)14(21)19-11-7-9(16)4-5-10(11)17/h2-7,22H,8H2,1H3,(H,18,20)(H,19,21)
InChIKeyTVNQKKBGWOLTAR-UHFFFAOYSA-N
XLogP1.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 51.99
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'-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
CID 90499889
5-fluoro-2-hydroxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111860656
N'-(4-acetamidophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
CID 90499924
N'-(2,5-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide
CID 48894796
N'-(3,4-dimethylphenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]oxamide
CID 95983351
N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide
CID 90500143
2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide
CID 95983276
N'-(3-ethynylphenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
CID 111444414
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
1-(4-fluoro-2-prop-2-ynoxyphenyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111475239
2,3-difluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111441795
1-(2,5-difluorophenyl)-2-thiophen-2-ylpropan-2-ol
CID 63220635

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide?
The IUPAC name of N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide (CID 71782404) is N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide.
What is the SMILES notation for N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide?
The canonical SMILES for N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide is CC(O)(CNC(=O)C(=O)Nc1cc(F)ccc1F)c1cccs1.
What is the InChIKey of N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide?
The InChIKey is TVNQKKBGWOLTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O3S/c1-15(22,12-3-2-6-23-12)8-18-13(20)14(21)19-11-7-9(16)4-5-10(11)17/h2-7,22H,8H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide?
N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide has a molecular weight of 340.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide is sourced from PubChem (CID 71782404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).