N'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide

C21H19FN2O3 — CID 56764164

IUPACN'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(O)c2cccc3ccccc23)cc1F
InChIInChI=1S/C21H19FN2O3/c1-13-9-10-15(11-18(13)22)24-21(27)20(26)23-12-19(25)17-8-4-6-14-5-2-3-7-16(14)17/h2-11,19,25H,12H2,1H3,(H,23,26)(H,24,27)
InChIKeyHPDLWYLMQLZNSD-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.08
Rot. Bonds4

About N'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide

N'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide (PubChem CID 56764164) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is N'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide
PubChem CID56764164
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC NameN'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(O)c2cccc3ccccc23)cc1F
InChIInChI=1S/C21H19FN2O3/c1-13-9-10-15(11-18(13)22)24-21(27)20(26)23-12-19(25)17-8-4-6-14-5-2-3-7-16(14)17/h2-11,19,25H,12H2,1H3,(H,23,26)(H,24,27)
InChIKeyHPDLWYLMQLZNSD-UHFFFAOYSA-N
XLogP3.08
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.08
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

Mirabegron (m5)
CID 90376256
N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide;hydrochloride
CID 118753371
N-(4-fluorophenyl)-N'-(2-hydroxy-2-phenylethyl)ethanediamide
CID 2883346
N-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]phenyl]acetamide
CID 43392265
1-(2-Hydroxy-2-(naphthalen-1-yl)ethyl)-3-(2-(trifluoromethyl)phenyl)urea
CID 56764191
N-(2,4-difluorophenyl)-N'-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}ethanediamide
CID 56765506
N-(4-ethylphenyl)-N'-(2-hydroxy-2-phenylethyl)ethanediamide
CID 2883735
N~1~-(2-hydroxy-2-phenylethyl)-N~2~-phenylethanediamide
CID 2883212
N~1~-(2-hydroxy-2-phenylethyl)-N~2~-(4-methylphenyl)ethanediamide
CID 2883710
N-(2-hydroxy-2-phenylethyl)-N'-(3-methylphenyl)ethanediamide
CID 2891332
N-[2,6-di(propan-2-yl)phenyl]-2-[(2-hydroxy-2-phenylethyl)amino]acetamide
CID 4878605
N-(5-fluoro-2-methylphenyl)-2-(3-hydroxy-3,4-dihydro-2H-benzo[h]quinolin-1-yl)acetamide
CID 42919697

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide?
The IUPAC name of N'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide (CID 56764164) is N'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide.
What is the SMILES notation for N'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide?
The canonical SMILES for N'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide is Cc1ccc(NC(=O)C(=O)NCC(O)c2cccc3ccccc23)cc1F.
What is the InChIKey of N'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide?
The InChIKey is HPDLWYLMQLZNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-13-9-10-15(11-18(13)22)24-21(27)20(26)23-12-19(25)17-8-4-6-14-5-2-3-7-16(14)17/h2-11,19,25H,12H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide?
N'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide has a molecular weight of 366.39 g/mol, XLogP of 3.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide is sourced from PubChem (CID 56764164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).