3-(2,6-diethylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide

C21H27FN2O — CID 109024995

IUPAC3-(2,6-diethylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESCCc1cccc(CC)c1NCCC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C21H27FN2O/c1-3-17-6-5-7-18(4-2)21(17)24-15-13-20(25)23-14-12-16-8-10-19(22)11-9-16/h5-11,24H,3-4,12-15H2,1-2H3,(H,23,25)
InChIKeyPXEQDSBJXVSBLZ-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.11
Rot. Bonds9

About 3-(2,6-diethylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide

3-(2,6-diethylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide (PubChem CID 109024995) has the molecular formula C21H27FN2O and a molecular weight of 342.46 g/mol. Its IUPAC name is 3-(2,6-diethylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,6-diethylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
PubChem CID109024995
Molecular FormulaC21H27FN2O
Molecular Weight342.46 g/mol
Exact Mass342.21
IUPAC Name3-(2,6-diethylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESCCc1cccc(CC)c1NCCC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C21H27FN2O/c1-3-17-6-5-7-18(4-2)21(17)24-15-13-20(25)23-14-12-16-8-10-19(22)11-9-16/h5-11,24H,3-4,12-15H2,1-2H3,(H,23,25)
InChIKeyPXEQDSBJXVSBLZ-UHFFFAOYSA-N
XLogP4.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-diethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025794
N-[2-(4-fluorophenyl)ethyl]-3-(2,4,6-trimethylanilino)propanamide
CID 109024994
3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94866860
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
N-[2-(4-fluorophenyl)ethyl]-3-(3-methoxyanilino)propanamide
CID 109025014
3-(2,6-diethylanilino)-N-(2-methoxyethyl)propanamide
CID 109015061
2-(2,6-diethylanilino)-N-(2-phenylethyl)acetamide
CID 108999995
N-(2,6-diethylphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 109000450
3-(2-ethylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 109021070
N-[2-(4-fluorophenyl)ethyl]-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020851
N-[2-(4-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)ethylamino]propanamide
CID 109024783
N-[2-(4-fluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60852875

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-diethylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-(2,6-diethylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide (CID 109024995) is 3-(2,6-diethylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2,6-diethylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(2,6-diethylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide is CCc1cccc(CC)c1NCCC(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 3-(2,6-diethylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is PXEQDSBJXVSBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O/c1-3-17-6-5-7-18(4-2)21(17)24-15-13-20(25)23-14-12-16-8-10-19(22)11-9-16/h5-11,24H,3-4,12-15H2,1-2H3,(H,23,25).
What are the key properties of 3-(2,6-diethylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide?
3-(2,6-diethylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 342.46 g/mol, XLogP of 4.11, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-diethylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 109024995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).