N-(3,4-dimethylphenyl)-2-(4-fluorophenoxy)propanamide

C17H18FNO2 — CID 4165567

IUPACN-(3,4-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
SMILESCc1ccc(NC(=O)C(C)Oc2ccc(F)cc2)cc1C
InChIInChI=1S/C17H18FNO2/c1-11-4-7-15(10-12(11)2)19-17(20)13(3)21-16-8-5-14(18)6-9-16/h4-10,13H,1-3H3,(H,19,20)
InChIKeyKUGCLVZWDHWHNU-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.85
Rot. Bonds4

About N-(3,4-dimethylphenyl)-2-(4-fluorophenoxy)propanamide

N-(3,4-dimethylphenyl)-2-(4-fluorophenoxy)propanamide (PubChem CID 4165567) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
PubChem CID4165567
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC NameN-(3,4-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
SMILESCc1ccc(NC(=O)C(C)Oc2ccc(F)cc2)cc1C
InChIInChI=1S/C17H18FNO2/c1-11-4-7-15(10-12(11)2)19-17(20)13(3)21-16-8-5-14(18)6-9-16/h4-10,13H,1-3H3,(H,19,20)
InChIKeyKUGCLVZWDHWHNU-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

Analyze N-(3,4-dimethylphenyl)-2-(4-fluorophenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(4-fluorophenoxy)propanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(4-fluorophenoxy)propanamide (CID 4165567) is N-(3,4-dimethylphenyl)-2-(4-fluorophenoxy)propanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(4-fluorophenoxy)propanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(4-fluorophenoxy)propanamide is Cc1ccc(NC(=O)C(C)Oc2ccc(F)cc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(4-fluorophenoxy)propanamide?
The InChIKey is KUGCLVZWDHWHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-11-4-7-15(10-12(11)2)19-17(20)13(3)21-16-8-5-14(18)6-9-16/h4-10,13H,1-3H3,(H,19,20).
What are the key properties of N-(3,4-dimethylphenyl)-2-(4-fluorophenoxy)propanamide?
N-(3,4-dimethylphenyl)-2-(4-fluorophenoxy)propanamide has a molecular weight of 287.33 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 4165567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).