3-(3-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)propanamide

C16H16FNO2 — CID 127122015

IUPAC3-(3-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2cccc(F)c2)c(O)c1
InChIInChI=1S/C16H16FNO2/c1-11-5-7-14(15(19)9-11)18-16(20)8-6-12-3-2-4-13(17)10-12/h2-5,7,9-10,19H,6,8H2,1H3,(H,18,20)
InChIKeyZQSJGWYMBVIADG-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.41
Rot. Bonds4

About 3-(3-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)propanamide

3-(3-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)propanamide (PubChem CID 127122015) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)propanamide
PubChem CID127122015
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name3-(3-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2cccc(F)c2)c(O)c1
InChIInChI=1S/C16H16FNO2/c1-11-5-7-14(15(19)9-11)18-16(20)8-6-12-3-2-4-13(17)10-12/h2-5,7,9-10,19H,6,8H2,1H3,(H,18,20)
InChIKeyZQSJGWYMBVIADG-UHFFFAOYSA-N
XLogP3.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide
CID 47128848
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CID 43052444
N-(2-acetamido-5-bromophenyl)-3-(3-fluorophenyl)propanamide
CID 60621107
3-fluoro-N-(2-hydroxy-4-methylphenyl)benzamide
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N-(2-amino-4-methylphenyl)-2-(3-fluorophenyl)acetamide
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CID 110675454
N-(2-hydroxy-4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9495575
3-(3-bromophenyl)-N-(2-fluoro-5-methylphenyl)propanamide
CID 42990299
N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 7751880
3-(3-bromophenyl)-N-(2,4-dimethylphenyl)propanamide
CID 43011240
3-(3-fluorophenyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 60574673
N-(2-hydroxy-4-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51180868

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)propanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)propanamide (CID 127122015) is 3-(3-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCc2cccc(F)c2)c(O)c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)propanamide?
The InChIKey is ZQSJGWYMBVIADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11-5-7-14(15(19)9-11)18-16(20)8-6-12-3-2-4-13(17)10-12/h2-5,7,9-10,19H,6,8H2,1H3,(H,18,20).
What are the key properties of 3-(3-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)propanamide?
3-(3-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)propanamide has a molecular weight of 273.31 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)propanamide is sourced from PubChem (CID 127122015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).