N'-(2,4-difluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide

C15H14F2N2O3S — CID 86264161

IUPACN'-(2,4-difluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide
SMILESO=C(NCCC(O)c1ccsc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H14F2N2O3S/c16-10-1-2-12(11(17)7-10)19-15(22)14(21)18-5-3-13(20)9-4-6-23-8-9/h1-2,4,6-8,13,20H,3,5H2,(H,18,21)(H,19,22)
InChIKeyWDTZTMNQLHWNIW-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.20
Rot. Bonds5

About N'-(2,4-difluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide

N'-(2,4-difluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide (PubChem CID 86264161) has the molecular formula C15H14F2N2O3S and a molecular weight of 340.35 g/mol. Its IUPAC name is N'-(2,4-difluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-(2,4-difluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide
PubChem CID86264161
Molecular FormulaC15H14F2N2O3S
Molecular Weight340.35 g/mol
Exact Mass340.07
IUPAC NameN'-(2,4-difluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide
SMILESO=C(NCCC(O)c1ccsc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H14F2N2O3S/c16-10-1-2-12(11(17)7-10)19-15(22)14(21)18-5-3-13(20)9-4-6-23-8-9/h1-2,4,6-8,13,20H,3,5H2,(H,18,21)(H,19,22)
InChIKeyWDTZTMNQLHWNIW-UHFFFAOYSA-N
XLogP2.20
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.20
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'-(5-chloro-2-methylphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide
CID 121132300
N'-(3-hydroxy-3-thiophen-3-ylpropyl)-N-methyloxamide
CID 121132255
N'-(2-chloro-5-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide
CID 111444382
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2,4-difluorophenyl)oxamide
CID 16932562
N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-methylphenyl)oxamide
CID 121132268
N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 99981653
N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 121132289
N'-(2,4-difluorophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 7292792
N'-(4-ethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide
CID 121132291
N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 99981562
N'-(2,5-difluorophenyl)-N-(3-hydroxybutyl)oxamide
CID 111337517
N'-(2-fluoro-4-methylphenyl)-N-(3-hydroxybutyl)oxamide
CID 111337534

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-difluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide?
The IUPAC name of N'-(2,4-difluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide (CID 86264161) is N'-(2,4-difluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide.
What is the SMILES notation for N'-(2,4-difluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide?
The canonical SMILES for N'-(2,4-difluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide is O=C(NCCC(O)c1ccsc1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N'-(2,4-difluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide?
The InChIKey is WDTZTMNQLHWNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O3S/c16-10-1-2-12(11(17)7-10)19-15(22)14(21)18-5-3-13(20)9-4-6-23-8-9/h1-2,4,6-8,13,20H,3,5H2,(H,18,21)(H,19,22).
What are the key properties of N'-(2,4-difluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide?
N'-(2,4-difluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide has a molecular weight of 340.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-difluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide is sourced from PubChem (CID 86264161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).