N-(3-fluorophenyl)-N'-(2-hydroxy-1-phenylethyl)oxamide

C16H15FN2O3 — CID 111798119

IUPACN-(3-fluorophenyl)-N'-(2-hydroxy-1-phenylethyl)oxamide
SMILESO=C(Nc1cccc(F)c1)C(=O)NC(CO)c1ccccc1
InChIInChI=1S/C16H15FN2O3/c17-12-7-4-8-13(9-12)18-15(21)16(22)19-14(10-20)11-5-2-1-3-6-11/h1-9,14,20H,10H2,(H,18,21)(H,19,22)
InChIKeySDSRQSNWQZMTDY-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.61
Rot. Bonds4

About N-(3-fluorophenyl)-N'-(2-hydroxy-1-phenylethyl)oxamide

N-(3-fluorophenyl)-N'-(2-hydroxy-1-phenylethyl)oxamide (PubChem CID 111798119) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N'-(2-hydroxy-1-phenylethyl)oxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N'-(2-hydroxy-1-phenylethyl)oxamide
PubChem CID111798119
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC NameN-(3-fluorophenyl)-N'-(2-hydroxy-1-phenylethyl)oxamide
SMILESO=C(Nc1cccc(F)c1)C(=O)NC(CO)c1ccccc1
InChIInChI=1S/C16H15FN2O3/c17-12-7-4-8-13(9-12)18-15(21)16(22)19-14(10-20)11-5-2-1-3-6-11/h1-9,14,20H,10H2,(H,18,21)(H,19,22)
InChIKeySDSRQSNWQZMTDY-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

N-(2,6-difluorophenyl)-N'-[(1S)-2-hydroxy-1-phenylethyl]oxamide
CID 111798649
1-(3-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111450262
1-(2-hydroxy-1-phenylethyl)-3-(3-methylsulfanylphenyl)urea
CID 72688100
N-(3-fluorophenyl)-N'-(5-methylhexan-2-yl)oxamide
CID 86995587
1-(2-hydroxy-1-phenylethyl)-3-(3,4,5-trifluorophenyl)urea
CID 111458987
N-(3-chlorophenyl)-N'-(4-hydroxy-1-phenylbutyl)oxamide
CID 111799086
1-[3-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 72688028
N'-[(1S)-2-hydroxy-1-phenylethyl]-N-(2-methyl-1H-indol-5-yl)oxamide
CID 111798651
2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]prop-2-enamide
CID 167776266
(2S)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-phenylbutanamide
CID 129358899
1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111475376
(2R)-N-(3-fluorophenyl)-2-phenylpropanamide
CID 97038180

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N'-(2-hydroxy-1-phenylethyl)oxamide?
The IUPAC name of N-(3-fluorophenyl)-N'-(2-hydroxy-1-phenylethyl)oxamide (CID 111798119) is N-(3-fluorophenyl)-N'-(2-hydroxy-1-phenylethyl)oxamide.
What is the SMILES notation for N-(3-fluorophenyl)-N'-(2-hydroxy-1-phenylethyl)oxamide?
The canonical SMILES for N-(3-fluorophenyl)-N'-(2-hydroxy-1-phenylethyl)oxamide is O=C(Nc1cccc(F)c1)C(=O)NC(CO)c1ccccc1.
What is the InChIKey of N-(3-fluorophenyl)-N'-(2-hydroxy-1-phenylethyl)oxamide?
The InChIKey is SDSRQSNWQZMTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3/c17-12-7-4-8-13(9-12)18-15(21)16(22)19-14(10-20)11-5-2-1-3-6-11/h1-9,14,20H,10H2,(H,18,21)(H,19,22).
What are the key properties of N-(3-fluorophenyl)-N'-(2-hydroxy-1-phenylethyl)oxamide?
N-(3-fluorophenyl)-N'-(2-hydroxy-1-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-(3-fluorophenyl)-N'-(2-hydroxy-1-phenylethyl)oxamide is sourced from PubChem (CID 111798119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).