3-(3-fluoro-4-methylphenyl)-2-oxo-N-(2-phenylethyl)propanamide

C18H18FNO2 — CID 58065193

IUPAC3-(3-fluoro-4-methylphenyl)-2-oxo-N-(2-phenylethyl)propanamide
SMILESCc1ccc(CC(=O)C(=O)NCCc2ccccc2)cc1F
InChIInChI=1S/C18H18FNO2/c1-13-7-8-15(11-16(13)19)12-17(21)18(22)20-10-9-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,20,22)
InChIKeyFFBKPTSLZVCOSP-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.60
Rot. Bonds6

About 3-(3-fluoro-4-methylphenyl)-2-oxo-N-(2-phenylethyl)propanamide

3-(3-fluoro-4-methylphenyl)-2-oxo-N-(2-phenylethyl)propanamide (PubChem CID 58065193) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenyl)-2-oxo-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(3-fluoro-4-methylphenyl)-2-oxo-N-(2-phenylethyl)propanamide
PubChem CID58065193
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name3-(3-fluoro-4-methylphenyl)-2-oxo-N-(2-phenylethyl)propanamide
SMILESCc1ccc(CC(=O)C(=O)NCCc2ccccc2)cc1F
InChIInChI=1S/C18H18FNO2/c1-13-7-8-15(11-16(13)19)12-17(21)18(22)20-10-9-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,20,22)
InChIKeyFFBKPTSLZVCOSP-UHFFFAOYSA-N
XLogP2.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526
1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-(2-phenylethyl)guanidine
CID 111135631
3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopropanamide
CID 146701430
N'-(5-chloro-2-methylphenyl)-N-(2-phenylethyl)oxamide
CID 2876297
N'-(3-fluoro-4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide
CID 60617251
N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 668304
N'-(4-chloro-2-fluorophenyl)-N-(2-phenylethyl)oxamide
CID 44999528
N-[2-(4-fluorophenyl)ethyl]-2-(3-methylphenyl)acetamide
CID 6468714
3-[2-[[2-(3-fluoro-4-methylphenyl)acetyl]amino]phenyl]-N-methylpropanamide
CID 131911038
N'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498673
1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea
CID 6470547
3-(4-fluoro-3-methylphenyl)-N-(2-phenylethyl)prop-2-ynamide
CID 68941446

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylphenyl)-2-oxo-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-(3-fluoro-4-methylphenyl)-2-oxo-N-(2-phenylethyl)propanamide (CID 58065193) is 3-(3-fluoro-4-methylphenyl)-2-oxo-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-(3-fluoro-4-methylphenyl)-2-oxo-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-(3-fluoro-4-methylphenyl)-2-oxo-N-(2-phenylethyl)propanamide is Cc1ccc(CC(=O)C(=O)NCCc2ccccc2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methylphenyl)-2-oxo-N-(2-phenylethyl)propanamide?
The InChIKey is FFBKPTSLZVCOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-13-7-8-15(11-16(13)19)12-17(21)18(22)20-10-9-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,20,22).
What are the key properties of 3-(3-fluoro-4-methylphenyl)-2-oxo-N-(2-phenylethyl)propanamide?
3-(3-fluoro-4-methylphenyl)-2-oxo-N-(2-phenylethyl)propanamide has a molecular weight of 299.35 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylphenyl)-2-oxo-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 58065193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).