N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide

C19H22FNO — CID 133178558

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
SMILESCc1ccc(C)c(C(C)NC(=O)CCc2ccc(F)cc2)c1
InChIInChI=1S/C19H22FNO/c1-13-4-5-14(2)18(12-13)15(3)21-19(22)11-8-16-6-9-17(20)10-7-16/h4-7,9-10,12,15H,8,11H2,1-3H3,(H,21,22)
InChIKeyUGWCMMIHSUBLCD-UHFFFAOYSA-N
MW299.39 g/mol
LogP4.25
Rot. Bonds5

About N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide

N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide (PubChem CID 133178558) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
PubChem CID133178558
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
SMILESCc1ccc(C)c(C(C)NC(=O)CCc2ccc(F)cc2)c1
InChIInChI=1S/C19H22FNO/c1-13-4-5-14(2)18(12-13)15(3)21-19(22)11-8-16-6-9-17(20)10-7-16/h4-7,9-10,12,15H,8,11H2,1-3H3,(H,21,22)
InChIKeyUGWCMMIHSUBLCD-UHFFFAOYSA-N
XLogP4.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 93239788
N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide
CID 17327195
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 17285343
3-(3,4-diethoxyphenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 38005769
3-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 93239790
3-chloro-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 17327223
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 1225838
3-(4-chlorophenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 100589534
3-(4-tert-butylphenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 94027139
3-(2,6-dichlorophenyl)-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 133225019
N-[1-(2,4-difluorophenyl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 177351939
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 99643736

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide (CID 133178558) is N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide is Cc1ccc(C)c(C(C)NC(=O)CCc2ccc(F)cc2)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide?
The InChIKey is UGWCMMIHSUBLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO/c1-13-4-5-14(2)18(12-13)15(3)21-19(22)11-8-16-6-9-17(20)10-7-16/h4-7,9-10,12,15H,8,11H2,1-3H3,(H,21,22).
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide?
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide has a molecular weight of 299.39 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 133178558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).