N-(2-fluorophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide

C17H17FN2O4 — CID 95572852

IUPACN-(2-fluorophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C17H17FN2O4/c1-10(12-9-11(24-2)7-8-15(12)21)19-16(22)17(23)20-14-6-4-3-5-13(14)18/h3-10,21H,1-2H3,(H,19,22)(H,20,23)/t10-/m1/s1
InChIKeySICXUOOQNUNDSJ-SNVBAGLBSA-N
MW332.33 g/mol
LogP2.36
Rot. Bonds4

About N-(2-fluorophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide

N-(2-fluorophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide (PubChem CID 95572852) has the molecular formula C17H17FN2O4 and a molecular weight of 332.33 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide
PubChem CID95572852
Molecular FormulaC17H17FN2O4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC NameN-(2-fluorophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C17H17FN2O4/c1-10(12-9-11(24-2)7-8-15(12)21)19-16(22)17(23)20-14-6-4-3-5-13(14)18/h3-10,21H,1-2H3,(H,19,22)(H,20,23)/t10-/m1/s1
InChIKeySICXUOOQNUNDSJ-SNVBAGLBSA-N
XLogP2.36
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylphenyl)-N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide
CID 95316895
N-(4-fluoro-2-methylphenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide
CID 95299337
N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]-N-(3-methoxyphenyl)oxamide
CID 95977791
N-(2-fluorophenyl)-N'-[(2S)-1-(3-methoxyphenyl)propan-2-yl]oxamide
CID 96532473
N-(3-cyanophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide
CID 95572838
N-(3-cyanophenyl)-N'-[1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide
CID 56801346
N-(2-fluorophenyl)-N'-propan-2-yloxamide
CID 2291553
N'-(2-fluorophenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514248
N-(2,5-dimethoxyphenyl)-N'-(1-phenylethyl)oxamide
CID 4058268
2-[1-(hydroxyamino)ethyl]-4-methoxyphenol
CID 82685754
N-(2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228940
2-[1-(4-bromo-2,5-difluoroanilino)ethyl]-4-methoxyphenol
CID 107609953

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N-(2-fluorophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide (CID 95572852) is N-(2-fluorophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N-(2-fluorophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N-(2-fluorophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide is COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccccc2F)c1.
What is the InChIKey of N-(2-fluorophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide?
The InChIKey is SICXUOOQNUNDSJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H17FN2O4/c1-10(12-9-11(24-2)7-8-15(12)21)19-16(22)17(23)20-14-6-4-3-5-13(14)18/h3-10,21H,1-2H3,(H,19,22)(H,20,23)/t10-/m1/s1.
What are the key properties of N-(2-fluorophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide?
N-(2-fluorophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide has a molecular weight of 332.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 95572852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).