N-(2,4-dimethylphenyl)-N-ethyl-3-(3-fluorophenyl)propanamide

C19H22FNO — CID 86927158

IUPACN-(2,4-dimethylphenyl)-N-ethyl-3-(3-fluorophenyl)propanamide
SMILESCCN(C(=O)CCc1cccc(F)c1)c1ccc(C)cc1C
InChIInChI=1S/C19H22FNO/c1-4-21(18-10-8-14(2)12-15(18)3)19(22)11-9-16-6-5-7-17(20)13-16/h5-8,10,12-13H,4,9,11H2,1-3H3
InChIKeyIBXHFZZERBEROI-UHFFFAOYSA-N
MW299.39 g/mol
LogP4.43
Rot. Bonds5

About N-(2,4-dimethylphenyl)-N-ethyl-3-(3-fluorophenyl)propanamide

N-(2,4-dimethylphenyl)-N-ethyl-3-(3-fluorophenyl)propanamide (PubChem CID 86927158) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N-ethyl-3-(3-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N-ethyl-3-(3-fluorophenyl)propanamide
PubChem CID86927158
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC NameN-(2,4-dimethylphenyl)-N-ethyl-3-(3-fluorophenyl)propanamide
SMILESCCN(C(=O)CCc1cccc(F)c1)c1ccc(C)cc1C
InChIInChI=1S/C19H22FNO/c1-4-21(18-10-8-14(2)12-15(18)3)19(22)11-9-16-6-5-7-17(20)13-16/h5-8,10,12-13H,4,9,11H2,1-3H3
InChIKeyIBXHFZZERBEROI-UHFFFAOYSA-N
XLogP4.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-(2,4-dimethylphenyl)-N-ethylacetamide
CID 131561562
N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-phenylpropanamide
CID 28740208
N,N-diethyl-3-(3-methylphenyl)propanamide
CID 60701900
3-(2,4-dimethylphenyl)-N-ethyl-N-(4-fluorophenyl)propanamide
CID 134055535
N-cyclopropyl-3-(3-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 78851901
3-(N-acetyl-2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113124282
2-bromo-N-(2,4-dimethylphenyl)-N-ethyl-5-fluorobenzamide
CID 55592952
trans-ethyl (1S,2S)-2-[3-(3-fluorophenyl)propanoyl]cyclopropane-1-carboxylate
CID 10635327
3-(N-acetyl-2,4-dimethylanilino)-N-(3-fluorophenyl)propanamide
CID 113124261
N-(2,4-dimethylphenyl)-N-ethyl-2-methylpropanamide
CID 78853766
N-(3,5-dimethylphenyl)-N-ethyl-3-phenylpropanamide
CID 52574490
2-(4-acetamidophenyl)-N-(2,4-dimethylphenyl)-N-ethylacetamide
CID 86927157

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N-ethyl-3-(3-fluorophenyl)propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-N-ethyl-3-(3-fluorophenyl)propanamide (CID 86927158) is N-(2,4-dimethylphenyl)-N-ethyl-3-(3-fluorophenyl)propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N-ethyl-3-(3-fluorophenyl)propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-N-ethyl-3-(3-fluorophenyl)propanamide is CCN(C(=O)CCc1cccc(F)c1)c1ccc(C)cc1C.
What is the InChIKey of N-(2,4-dimethylphenyl)-N-ethyl-3-(3-fluorophenyl)propanamide?
The InChIKey is IBXHFZZERBEROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO/c1-4-21(18-10-8-14(2)12-15(18)3)19(22)11-9-16-6-5-7-17(20)13-16/h5-8,10,12-13H,4,9,11H2,1-3H3.
What are the key properties of N-(2,4-dimethylphenyl)-N-ethyl-3-(3-fluorophenyl)propanamide?
N-(2,4-dimethylphenyl)-N-ethyl-3-(3-fluorophenyl)propanamide has a molecular weight of 299.39 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N-ethyl-3-(3-fluorophenyl)propanamide is sourced from PubChem (CID 86927158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).