N-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide

C19H22FNO — CID 127122521

IUPACN-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
SMILESCCc1ccc(C(C)NC(=O)CCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO/c1-3-15-4-9-17(10-5-15)14(2)21-19(22)13-8-16-6-11-18(20)12-7-16/h4-7,9-12,14H,3,8,13H2,1-2H3,(H,21,22)
InChIKeyXNMBGOBVWMKQGU-UHFFFAOYSA-N
MW299.39 g/mol
LogP4.20
Rot. Bonds6

About N-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide

N-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide (PubChem CID 127122521) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
PubChem CID127122521
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
SMILESCCc1ccc(C(C)NC(=O)CCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO/c1-3-15-4-9-17(10-5-15)14(2)21-19(22)13-8-16-6-11-18(20)12-7-16/h4-7,9-12,14H,3,8,13H2,1-2H3,(H,21,22)
InChIKeyXNMBGOBVWMKQGU-UHFFFAOYSA-N
XLogP4.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-fluorophenyl)-N-(1-phenylethyl)propanamide
CID 47112649
3-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 18096269
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide
CID 30402368
N-[1-(4-ethylphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51181244
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
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N-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 46654046
3-(3,4-dichlorophenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
CID 100598401
2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561037
2-(4-ethylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561038
3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 110888819
3-(3-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 115341627
3-amino-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61247716

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide (CID 127122521) is N-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide is CCc1ccc(C(C)NC(=O)CCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide?
The InChIKey is XNMBGOBVWMKQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO/c1-3-15-4-9-17(10-5-15)14(2)21-19(22)13-8-16-6-11-18(20)12-7-16/h4-7,9-12,14H,3,8,13H2,1-2H3,(H,21,22).
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide?
N-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide has a molecular weight of 299.39 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 127122521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).