3-(2,5-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide

C19H22FNO2 — CID 7935389

IUPAC3-(2,5-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESCc1ccc(C)c(OCCC(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C19H22FNO2/c1-14-3-4-15(2)18(13-14)23-12-10-19(22)21-11-9-16-5-7-17(20)8-6-16/h3-8,13H,9-12H2,1-2H3,(H,21,22)
InChIKeyHMQVEUUMLLHMKB-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.57
Rot. Bonds7

About 3-(2,5-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide

3-(2,5-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide (PubChem CID 7935389) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
PubChem CID7935389
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name3-(2,5-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESCc1ccc(C)c(OCCC(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C19H22FNO2/c1-14-3-4-15(2)18(13-14)23-12-10-19(22)21-11-9-16-5-7-17(20)8-6-16/h3-8,13H,9-12H2,1-2H3,(H,21,22)
InChIKeyHMQVEUUMLLHMKB-UHFFFAOYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-(3-methoxyphenyl)propyl)propionamide
CID 10104923
N-{(1R,2R)-2-[(R)-2-(4-Phenyl-butyl)-2,3-dihydro-benzofuran-4-yl]-cyclopropylmethyl}-propionamide
CID 20590654
N-(3-(2-ethoxy-5-methoxyphenyl)propyl)acetamide
CID 46885284
N-(3-(5-methoxy-2-propoxyphenyl)propyl)acetamide
CID 46885285
N-{3-[(R)-2-(4-Phenyl-butyl)-2,3-dihydro-benzofuran-4-yl]-propyl}-propionamide
CID 44389812
N-[3-[5-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]propyl]propanamide
CID 46865422
N-(3-(5-methoxy-2-(3-methoxybenzyloxy)phenyl)propyl)acetamide
CID 46884553
N-(3-(2-(benzyloxy)-5-methoxyphenyl)propyl)acetamide
CID 46885226
N-(3-(2-(benzyloxy)-5-methoxyphenyl)propyl)propionamide
CID 46885227
N-(3-(2-(benzyloxy)-5-methoxyphenyl)propyl)butyramide
CID 46885228
N-[2-[7-(2-fluoroethoxy)naphthalen-1-yl]ethyl]acetamide
CID 57381767
N-[3-(4-fluoro-3-methoxyphenyl)propyl]butanamide
CID 155531392

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-(2,5-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide (CID 7935389) is 3-(2,5-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide is Cc1ccc(C)c(OCCC(=O)NCCc2ccc(F)cc2)c1.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is HMQVEUUMLLHMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-14-3-4-15(2)18(13-14)23-12-10-19(22)21-11-9-16-5-7-17(20)8-6-16/h3-8,13H,9-12H2,1-2H3,(H,21,22).
What are the key properties of 3-(2,5-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide?
3-(2,5-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 315.39 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 7935389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).