N-(2,6-difluorophenyl)-N'-[(1S)-2-hydroxy-1-phenylethyl]oxamide

C16H14F2N2O3 — CID 111798649

IUPACN-(2,6-difluorophenyl)-N'-[(1S)-2-hydroxy-1-phenylethyl]oxamide
SMILESO=C(Nc1c(F)cccc1F)C(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C16H14F2N2O3/c17-11-7-4-8-12(18)14(11)20-16(23)15(22)19-13(9-21)10-5-2-1-3-6-10/h1-8,13,21H,9H2,(H,19,22)(H,20,23)/t13-/m1/s1
InChIKeyLURWQHSTTBDXOI-CYBMUJFWSA-N
MW320.30 g/mol
LogP1.75
Rot. Bonds4

About N-(2,6-difluorophenyl)-N'-[(1S)-2-hydroxy-1-phenylethyl]oxamide

N-(2,6-difluorophenyl)-N'-[(1S)-2-hydroxy-1-phenylethyl]oxamide (PubChem CID 111798649) has the molecular formula C16H14F2N2O3 and a molecular weight of 320.30 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-N'-[(1S)-2-hydroxy-1-phenylethyl]oxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-N'-[(1S)-2-hydroxy-1-phenylethyl]oxamide
PubChem CID111798649
Molecular FormulaC16H14F2N2O3
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC NameN-(2,6-difluorophenyl)-N'-[(1S)-2-hydroxy-1-phenylethyl]oxamide
SMILESO=C(Nc1c(F)cccc1F)C(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C16H14F2N2O3/c17-11-7-4-8-12(18)14(11)20-16(23)15(22)19-13(9-21)10-5-2-1-3-6-10/h1-8,13,21H,9H2,(H,19,22)(H,20,23)/t13-/m1/s1
InChIKeyLURWQHSTTBDXOI-CYBMUJFWSA-N
XLogP1.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,6-difluorophenyl)-N'-[(1S)-2-hydroxy-1-phenylethyl]oxamide 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

N-(3-fluorophenyl)-N'-(2-hydroxy-1-phenylethyl)oxamide
CID 111798119
2,6-difluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184322
2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944481
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
1-(2-fluorophenyl)-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 103765021
2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]prop-2-enamide
CID 167776266
2-(2-fluorophenyl)sulfanyl-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103944451
N-(2-ethylphenyl)-N'-(2-hydroxy-1-phenylethyl)oxamide
CID 111798095
1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111521359
2-(2-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide
CID 110001804
1-(2-hydroxy-1-phenylethyl)-3-(3,4,5-trifluorophenyl)urea
CID 111458987
3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103772740

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-N'-[(1S)-2-hydroxy-1-phenylethyl]oxamide?
The IUPAC name of N-(2,6-difluorophenyl)-N'-[(1S)-2-hydroxy-1-phenylethyl]oxamide (CID 111798649) is N-(2,6-difluorophenyl)-N'-[(1S)-2-hydroxy-1-phenylethyl]oxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-N'-[(1S)-2-hydroxy-1-phenylethyl]oxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-N'-[(1S)-2-hydroxy-1-phenylethyl]oxamide is O=C(Nc1c(F)cccc1F)C(=O)N[C@H](CO)c1ccccc1.
What is the InChIKey of N-(2,6-difluorophenyl)-N'-[(1S)-2-hydroxy-1-phenylethyl]oxamide?
The InChIKey is LURWQHSTTBDXOI-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H14F2N2O3/c17-11-7-4-8-12(18)14(11)20-16(23)15(22)19-13(9-21)10-5-2-1-3-6-10/h1-8,13,21H,9H2,(H,19,22)(H,20,23)/t13-/m1/s1.
What are the key properties of N-(2,6-difluorophenyl)-N'-[(1S)-2-hydroxy-1-phenylethyl]oxamide?
N-(2,6-difluorophenyl)-N'-[(1S)-2-hydroxy-1-phenylethyl]oxamide has a molecular weight of 320.30 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-N'-[(1S)-2-hydroxy-1-phenylethyl]oxamide is sourced from PubChem (CID 111798649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).