N'-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)oxamide

C16H15FN2O3 — CID 2883346

IUPACN'-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)oxamide
SMILESO=C(NCC(O)c1ccccc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H15FN2O3/c17-12-6-8-13(9-7-12)19-16(22)15(21)18-10-14(20)11-4-2-1-3-5-11/h1-9,14,20H,10H2,(H,18,21)(H,19,22)
InChIKeyQHDKESZCIDANEI-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.61
Rot. Bonds4

About N'-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)oxamide

N'-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)oxamide (PubChem CID 2883346) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)oxamide
PubChem CID2883346
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC NameN'-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)oxamide
SMILESO=C(NCC(O)c1ccccc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H15FN2O3/c17-12-6-8-13(9-7-12)19-16(22)15(21)18-10-14(20)11-4-2-1-3-5-11/h1-9,14,20H,10H2,(H,18,21)(H,19,22)
InChIKeyQHDKESZCIDANEI-UHFFFAOYSA-N
XLogP1.61
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea
CID 799934
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylethyl)urea
CID 110893367
N'-(4-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide
CID 110893729
N'-(3-fluoro-4-methylphenyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]oxamide
CID 167915427
N'-(4-acetamidophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 90534917
N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 40978744
1-(4-chlorophenyl)-3-(2-hydroxy-2-phenylethyl)urea
CID 15933957
1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
CID 42960515
N-[(2S)-2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N'-(4-fluorophenyl)oxamide
CID 92680983
N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]oxamide
CID 42580706
N'-(4-anilinophenyl)-N-(2-hydroxypropyl)oxamide
CID 108521320
N'-(4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 90623549

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)oxamide?
The IUPAC name of N'-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)oxamide (CID 2883346) is N'-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)oxamide.
What is the SMILES notation for N'-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)oxamide?
The canonical SMILES for N'-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)oxamide is O=C(NCC(O)c1ccccc1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)oxamide?
The InChIKey is QHDKESZCIDANEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3/c17-12-6-8-13(9-7-12)19-16(22)15(21)18-10-14(20)11-4-2-1-3-5-11/h1-9,14,20H,10H2,(H,18,21)(H,19,22).
What are the key properties of N'-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)oxamide?
N'-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)oxamide has a molecular weight of 302.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)oxamide is sourced from PubChem (CID 2883346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).