3-(2-fluorophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide

C19H22FNO2 — CID 134049964

IUPAC3-(2-fluorophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
SMILESCc1ccc(OCCN(C)C(=O)CCc2ccccc2F)cc1
InChIInChI=1S/C19H22FNO2/c1-15-7-10-17(11-8-15)23-14-13-21(2)19(22)12-9-16-5-3-4-6-18(16)20/h3-8,10-11H,9,12-14H2,1-2H3
InChIKeyGJGJAQJDWQPACZ-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.60
Rot. Bonds7

About 3-(2-fluorophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide

3-(2-fluorophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide (PubChem CID 134049964) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
PubChem CID134049964
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name3-(2-fluorophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
SMILESCc1ccc(OCCN(C)C(=O)CCc2ccccc2F)cc1
InChIInChI=1S/C19H22FNO2/c1-15-7-10-17(11-8-15)23-14-13-21(2)19(22)12-9-16-5-3-4-6-18(16)20/h3-8,10-11H,9,12-14H2,1-2H3
InChIKeyGJGJAQJDWQPACZ-UHFFFAOYSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-aminophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide;hydrochloride
CID 120608367
3-(2-aminophenyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpropanamide
CID 120608115
3-(2-aminophenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
CID 120608378
4-[3-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-oxopropyl]benzoic acid
CID 119179858
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 60937297
3-acetamido-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 47120479
N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylamino)propanamide
CID 60938139
N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
2-hydroxy-N-methyl-N-[3-(4-methylphenoxy)propyl]acetamide
CID 142802550
3-(2-aminophenyl)-N-methyl-N-(3-phenoxypropyl)propanamide
CID 120609279
N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 26994681
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78794099

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide (CID 134049964) is 3-(2-fluorophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide is Cc1ccc(OCCN(C)C(=O)CCc2ccccc2F)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide?
The InChIKey is GJGJAQJDWQPACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-15-7-10-17(11-8-15)23-14-13-21(2)19(22)12-9-16-5-3-4-6-18(16)20/h3-8,10-11H,9,12-14H2,1-2H3.
What are the key properties of 3-(2-fluorophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide?
3-(2-fluorophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide has a molecular weight of 315.39 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide is sourced from PubChem (CID 134049964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).