3-(N-acetyl-2,4-difluoroanilino)-N-(2,6-diethylphenyl)propanamide

C21H24F2N2O2 — CID 113133486

IUPAC3-(N-acetyl-2,4-difluoroanilino)-N-(2,6-diethylphenyl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCN(C(C)=O)c1ccc(F)cc1F
InChIInChI=1S/C21H24F2N2O2/c1-4-15-7-6-8-16(5-2)21(15)24-20(27)11-12-25(14(3)26)19-10-9-17(22)13-18(19)23/h6-10,13H,4-5,11-12H2,1-3H3,(H,24,27)
InChIKeyYWSYHHKVDOQUDT-UHFFFAOYSA-N
MW374.43 g/mol
LogP4.47
Rot. Bonds7

About 3-(N-acetyl-2,4-difluoroanilino)-N-(2,6-diethylphenyl)propanamide

3-(N-acetyl-2,4-difluoroanilino)-N-(2,6-diethylphenyl)propanamide (PubChem CID 113133486) has the molecular formula C21H24F2N2O2 and a molecular weight of 374.43 g/mol. Its IUPAC name is 3-(N-acetyl-2,4-difluoroanilino)-N-(2,6-diethylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,4-difluoroanilino)-N-(2,6-diethylphenyl)propanamide
PubChem CID113133486
Molecular FormulaC21H24F2N2O2
Molecular Weight374.43 g/mol
Exact Mass374.18
IUPAC Name3-(N-acetyl-2,4-difluoroanilino)-N-(2,6-diethylphenyl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCN(C(C)=O)c1ccc(F)cc1F
InChIInChI=1S/C21H24F2N2O2/c1-4-15-7-6-8-16(5-2)21(15)24-20(27)11-12-25(14(3)26)19-10-9-17(22)13-18(19)23/h6-10,13H,4-5,11-12H2,1-3H3,(H,24,27)
InChIKeyYWSYHHKVDOQUDT-UHFFFAOYSA-N
XLogP4.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2,4-difluoroanilino)-N-(2,6-diethylphenyl)acetamide
CID 113179024
3-(N-acetyl-2,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113133551
3-(N-acetyl-2,4-difluoroanilino)propanoic acid
CID 28764816
3-(N-acetyl-2,4-difluoroanilino)-N-(2-tert-butylphenyl)propanamide
CID 113133488
3-(N-acetylanilino)-N-(2,6-diethylphenyl)propanamide
CID 113123442
3-(N-acetyl-2,4-dimethylanilino)-N-(2-ethyl-6-methylphenyl)propanamide
CID 113124213
3-(N-acetyl-2,4-difluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113133497
3-(N-acetyl-2-fluoroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113126804
3-(3-acetamido-N-acetylanilino)-N-(2,6-diethylphenyl)propanamide
CID 113131019
3-(N-acetyl-2,4-difluoroanilino)-N-cyclopentylpropanamide
CID 113133398
3-(N-acetyl-2,3,4-trifluoroanilino)-N-(2,6-difluorophenyl)propanamide
CID 113135320
3-(N-acetyl-4-ethylanilino)-N-(2,6-difluorophenyl)propanamide
CID 113125495

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,4-difluoroanilino)-N-(2,6-diethylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,4-difluoroanilino)-N-(2,6-diethylphenyl)propanamide (CID 113133486) is 3-(N-acetyl-2,4-difluoroanilino)-N-(2,6-diethylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,4-difluoroanilino)-N-(2,6-diethylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,4-difluoroanilino)-N-(2,6-diethylphenyl)propanamide is CCc1cccc(CC)c1NC(=O)CCN(C(C)=O)c1ccc(F)cc1F.
What is the InChIKey of 3-(N-acetyl-2,4-difluoroanilino)-N-(2,6-diethylphenyl)propanamide?
The InChIKey is YWSYHHKVDOQUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O2/c1-4-15-7-6-8-16(5-2)21(15)24-20(27)11-12-25(14(3)26)19-10-9-17(22)13-18(19)23/h6-10,13H,4-5,11-12H2,1-3H3,(H,24,27).
What are the key properties of 3-(N-acetyl-2,4-difluoroanilino)-N-(2,6-diethylphenyl)propanamide?
3-(N-acetyl-2,4-difluoroanilino)-N-(2,6-diethylphenyl)propanamide has a molecular weight of 374.43 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,4-difluoroanilino)-N-(2,6-diethylphenyl)propanamide is sourced from PubChem (CID 113133486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).