N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide

C19H22FNO3 — CID 46664023

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)CCc2ccccc2F)c1
InChIInChI=1S/C19H22FNO3/c1-13(16-12-15(23-2)9-10-18(16)24-3)21-19(22)11-8-14-6-4-5-7-17(14)20/h4-7,9-10,12-13H,8,11H2,1-3H3,(H,21,22)
InChIKeyQOLXKMDZTBEWRZ-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.65
Rot. Bonds7

About N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide (PubChem CID 46664023) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
PubChem CID46664023
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)CCc2ccccc2F)c1
InChIInChI=1S/C19H22FNO3/c1-13(16-12-15(23-2)9-10-18(16)24-3)21-19(22)11-8-14-6-4-5-7-17(14)20/h4-7,9-10,12-13H,8,11H2,1-3H3,(H,21,22)
InChIKeyQOLXKMDZTBEWRZ-UHFFFAOYSA-N
XLogP3.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 9477708
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 133261844
3-(2,3-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 43077905
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46828547
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 9478271
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 127121094
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
3-(4-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 31948443
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-methylphenyl)propanamide
CID 51277021
2-(4-chloro-2-fluorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133230731
2-(2,5-dimethoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28560338
3-(3,4-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 133219990

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide (CID 46664023) is N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide is COc1ccc(OC)c(C(C)NC(=O)CCc2ccccc2F)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide?
The InChIKey is QOLXKMDZTBEWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-13(16-12-15(23-2)9-10-18(16)24-3)21-19(22)11-8-14-6-4-5-7-17(14)20/h4-7,9-10,12-13H,8,11H2,1-3H3,(H,21,22).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide has a molecular weight of 331.39 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide is sourced from PubChem (CID 46664023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).