N-(3-fluoro-4-methylphenyl)-3-(2-methylphenoxy)propanamide

C17H18FNO2 — CID 808409

IUPACN-(3-fluoro-4-methylphenyl)-3-(2-methylphenoxy)propanamide
SMILESCc1ccc(NC(=O)CCOc2ccccc2C)cc1F
InChIInChI=1S/C17H18FNO2/c1-12-7-8-14(11-15(12)18)19-17(20)9-10-21-16-6-4-3-5-13(16)2/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyPITGZDCLHSSKOK-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.85
Rot. Bonds5

About N-(3-fluoro-4-methylphenyl)-3-(2-methylphenoxy)propanamide

N-(3-fluoro-4-methylphenyl)-3-(2-methylphenoxy)propanamide (PubChem CID 808409) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-3-(2-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-3-(2-methylphenoxy)propanamide
PubChem CID808409
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC NameN-(3-fluoro-4-methylphenyl)-3-(2-methylphenoxy)propanamide
SMILESCc1ccc(NC(=O)CCOc2ccccc2C)cc1F
InChIInChI=1S/C17H18FNO2/c1-12-7-8-14(11-15(12)18)19-17(20)9-10-21-16-6-4-3-5-13(16)2/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyPITGZDCLHSSKOK-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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Related Compounds

Florbetaben (18F)
CID 11501341
2-oxo-N-p-tolyl-2H-chromene-3-carboxamide
CID 599290
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CID 745287
N-(3-Methylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 599289
N-(4-fluorophenyl)-2-oxo-2H-chromene-3-carboxamide
CID 694612
Florbetaben unlabelled
CID 53257383
4-amino-N-[4-(benzyloxy)phenyl]butanamide
CID 22692237
(2Z)-2-cyano-N-(3'-ethoxybiphenyl-4-yl)-3-hydroxybut-2-enamide
CID 54727985
2-oxo-N-phenyl-2H-chromene-3-carboxamide
CID 341782
N-(4-ethylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 724200
N-(3,4-dimethylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 724195
2-oxo-N-[3-(trifluoromethyl)phenyl]-2H-chromene-3-carboxamide
CID 680602

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-3-(2-methylphenoxy)propanamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-3-(2-methylphenoxy)propanamide (CID 808409) is N-(3-fluoro-4-methylphenyl)-3-(2-methylphenoxy)propanamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-3-(2-methylphenoxy)propanamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-3-(2-methylphenoxy)propanamide is Cc1ccc(NC(=O)CCOc2ccccc2C)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-3-(2-methylphenoxy)propanamide?
The InChIKey is PITGZDCLHSSKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-12-7-8-14(11-15(12)18)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-(3-fluoro-4-methylphenyl)-3-(2-methylphenoxy)propanamide?
N-(3-fluoro-4-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-(3-fluoro-4-methylphenyl)-3-(2-methylphenoxy)propanamide is sourced from PubChem (CID 808409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).