3-(N-acetyl-2,6-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide

C20H22F2N2O2 — CID 113135416

IUPAC3-(N-acetyl-2,6-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C(C)C)c1c(F)cccc1F
InChIInChI=1S/C20H22F2N2O2/c1-13(2)15-7-4-5-10-18(15)23-19(26)11-12-24(14(3)25)20-16(21)8-6-9-17(20)22/h4-10,13H,11-12H2,1-3H3,(H,23,26)
InChIKeyJVCHZQOFYLUDAU-UHFFFAOYSA-N
MW360.40 g/mol
LogP4.47
Rot. Bonds6

About 3-(N-acetyl-2,6-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide

3-(N-acetyl-2,6-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 113135416) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is 3-(N-acetyl-2,6-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,6-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide
PubChem CID113135416
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC Name3-(N-acetyl-2,6-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C(C)C)c1c(F)cccc1F
InChIInChI=1S/C20H22F2N2O2/c1-13(2)15-7-4-5-10-18(15)23-19(26)11-12-24(14(3)25)20-16(21)8-6-9-17(20)22/h4-10,13H,11-12H2,1-3H3,(H,23,26)
InChIKeyJVCHZQOFYLUDAU-UHFFFAOYSA-N
XLogP4.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2,4,6-trimethylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 113126059
3-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(2-cyanophenyl)propanamide
CID 113133155
3-[N-acetyl-4-(diethylamino)anilino]-N-(2-propan-2-ylphenyl)propanamide
CID 113131897
3-(N-acetyl-3,5-dichloroanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 113134122
3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide
CID 113126739
3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 113128043
2-(N-acetyl-2,6-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113181475
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113121143
ethyl 4-[acetyl-[3-oxo-3-(2-propan-2-ylanilino)propyl]amino]benzoate
CID 113133362
3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 71828995
3-(N-acetyl-2,6-dimethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113124910
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 113130137

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,6-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,6-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide (CID 113135416) is 3-(N-acetyl-2,6-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,6-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,6-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1C(C)C)c1c(F)cccc1F.
What is the InChIKey of 3-(N-acetyl-2,6-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is JVCHZQOFYLUDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c1-13(2)15-7-4-5-10-18(15)23-19(26)11-12-24(14(3)25)20-16(21)8-6-9-17(20)22/h4-10,13H,11-12H2,1-3H3,(H,23,26).
What are the key properties of 3-(N-acetyl-2,6-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide?
3-(N-acetyl-2,6-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 360.40 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,6-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 113135416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).