N-(2-fluoro-5-methylphenyl)-3-(2-methylphenoxy)propanamide

C17H18FNO2 — CID 808417

IUPACN-(2-fluoro-5-methylphenyl)-3-(2-methylphenoxy)propanamide
SMILESCc1ccc(F)c(NC(=O)CCOc2ccccc2C)c1
InChIInChI=1S/C17H18FNO2/c1-12-7-8-14(18)15(11-12)19-17(20)9-10-21-16-6-4-3-5-13(16)2/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyWAMMEEYMLPVBJV-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.85
Rot. Bonds5

About N-(2-fluoro-5-methylphenyl)-3-(2-methylphenoxy)propanamide

N-(2-fluoro-5-methylphenyl)-3-(2-methylphenoxy)propanamide (PubChem CID 808417) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-3-(2-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-3-(2-methylphenoxy)propanamide
PubChem CID808417
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC NameN-(2-fluoro-5-methylphenyl)-3-(2-methylphenoxy)propanamide
SMILESCc1ccc(F)c(NC(=O)CCOc2ccccc2C)c1
InChIInChI=1S/C17H18FNO2/c1-12-7-8-14(18)15(11-12)19-17(20)9-10-21-16-6-4-3-5-13(16)2/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyWAMMEEYMLPVBJV-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-3-(2-methylphenoxy)propanamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-3-(2-methylphenoxy)propanamide (CID 808417) is N-(2-fluoro-5-methylphenyl)-3-(2-methylphenoxy)propanamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-3-(2-methylphenoxy)propanamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-3-(2-methylphenoxy)propanamide is Cc1ccc(F)c(NC(=O)CCOc2ccccc2C)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-3-(2-methylphenoxy)propanamide?
The InChIKey is WAMMEEYMLPVBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-12-7-8-14(18)15(11-12)19-17(20)9-10-21-16-6-4-3-5-13(16)2/h3-8,11H,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-(2-fluoro-5-methylphenyl)-3-(2-methylphenoxy)propanamide?
N-(2-fluoro-5-methylphenyl)-3-(2-methylphenoxy)propanamide has a molecular weight of 287.33 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-3-(2-methylphenoxy)propanamide is sourced from PubChem (CID 808417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).