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

C19H22FNO — CID 134055535

IUPAC3-(2,4-dimethylphenyl)-N-ethyl-N-(4-fluorophenyl)propanamide
SMILESCCN(C(=O)CCc1ccc(C)cc1C)c1ccc(F)cc1
InChIInChI=1S/C19H22FNO/c1-4-21(18-10-8-17(20)9-11-18)19(22)12-7-16-6-5-14(2)13-15(16)3/h5-6,8-11,13H,4,7,12H2,1-3H3
InChIKeyBRPRFIGFKICNNG-UHFFFAOYSA-N
MW299.39 g/mol
LogP4.43
Rot. Bonds5

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

3-(2,4-dimethylphenyl)-N-ethyl-N-(4-fluorophenyl)propanamide (PubChem CID 134055535) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-ethyl-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-ethyl-N-(4-fluorophenyl)propanamide
PubChem CID134055535
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC Name3-(2,4-dimethylphenyl)-N-ethyl-N-(4-fluorophenyl)propanamide
SMILESCCN(C(=O)CCc1ccc(C)cc1C)c1ccc(F)cc1
InChIInChI=1S/C19H22FNO/c1-4-21(18-10-8-17(20)9-11-18)19(22)12-7-16-6-5-14(2)13-15(16)3/h5-6,8-11,13H,4,7,12H2,1-3H3
InChIKeyBRPRFIGFKICNNG-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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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-ethyl-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-ethyl-N-(4-fluorophenyl)propanamide (CID 134055535) is 3-(2,4-dimethylphenyl)-N-ethyl-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-ethyl-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-ethyl-N-(4-fluorophenyl)propanamide is CCN(C(=O)CCc1ccc(C)cc1C)c1ccc(F)cc1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-ethyl-N-(4-fluorophenyl)propanamide?
The InChIKey is BRPRFIGFKICNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO/c1-4-21(18-10-8-17(20)9-11-18)19(22)12-7-16-6-5-14(2)13-15(16)3/h5-6,8-11,13H,4,7,12H2,1-3H3.
What are the key properties of 3-(2,4-dimethylphenyl)-N-ethyl-N-(4-fluorophenyl)propanamide?
3-(2,4-dimethylphenyl)-N-ethyl-N-(4-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 3-(2,4-dimethylphenyl)-N-ethyl-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 134055535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).