3-(N-acetyl-2,4-difluoroanilino)-N-(2-tert-butylphenyl)propanamide

C21H24F2N2O2 — CID 113133488

IUPAC3-(N-acetyl-2,4-difluoroanilino)-N-(2-tert-butylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C(C)(C)C)c1ccc(F)cc1F
InChIInChI=1S/C21H24F2N2O2/c1-14(26)25(19-10-9-15(22)13-17(19)23)12-11-20(27)24-18-8-6-5-7-16(18)21(2,3)4/h5-10,13H,11-12H2,1-4H3,(H,24,27)
InChIKeyNCNCVXAVORMEDA-UHFFFAOYSA-N
MW374.43 g/mol
LogP4.64
Rot. Bonds5

About 3-(N-acetyl-2,4-difluoroanilino)-N-(2-tert-butylphenyl)propanamide

3-(N-acetyl-2,4-difluoroanilino)-N-(2-tert-butylphenyl)propanamide (PubChem CID 113133488) 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-tert-butylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,4-difluoroanilino)-N-(2-tert-butylphenyl)propanamide
PubChem CID113133488
Molecular FormulaC21H24F2N2O2
Molecular Weight374.43 g/mol
Exact Mass374.18
IUPAC Name3-(N-acetyl-2,4-difluoroanilino)-N-(2-tert-butylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C(C)(C)C)c1ccc(F)cc1F
InChIInChI=1S/C21H24F2N2O2/c1-14(26)25(19-10-9-15(22)13-17(19)23)12-11-20(27)24-18-8-6-5-7-16(18)21(2,3)4/h5-10,13H,11-12H2,1-4H3,(H,24,27)
InChIKeyNCNCVXAVORMEDA-UHFFFAOYSA-N
XLogP4.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2,4-difluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113133497
3-(N-acetyl-2-tert-butylanilino)-N-(4-fluorophenyl)propanamide
CID 113126456
3-(N-acetyl-2,4-difluoroanilino)-N-(2,6-diethylphenyl)propanamide
CID 113133486
3-(N-acetyl-2-methylanilino)-N-(2,4-difluorophenyl)propanamide
CID 113123700
3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide
CID 113126739
3-(N-acetyl-2,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113133551
3-(N-acetyl-2,4-difluoroanilino)propanoic acid
CID 28764816
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-tert-butylphenyl)propanamide
CID 113119165
3-(N-acetyl-4-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113127924
3-(N-acetyl-2-tert-butylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113126445
3-(N-acetyl-2-tert-butylanilino)-N-(4-chlorophenyl)propanamide
CID 113126459
3-(N-acetyl-2,4-difluoroanilino)-N-cyclopentylpropanamide
CID 113133398

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,4-difluoroanilino)-N-(2-tert-butylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,4-difluoroanilino)-N-(2-tert-butylphenyl)propanamide (CID 113133488) is 3-(N-acetyl-2,4-difluoroanilino)-N-(2-tert-butylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,4-difluoroanilino)-N-(2-tert-butylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,4-difluoroanilino)-N-(2-tert-butylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1C(C)(C)C)c1ccc(F)cc1F.
What is the InChIKey of 3-(N-acetyl-2,4-difluoroanilino)-N-(2-tert-butylphenyl)propanamide?
The InChIKey is NCNCVXAVORMEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O2/c1-14(26)25(19-10-9-15(22)13-17(19)23)12-11-20(27)24-18-8-6-5-7-16(18)21(2,3)4/h5-10,13H,11-12H2,1-4H3,(H,24,27).
What are the key properties of 3-(N-acetyl-2,4-difluoroanilino)-N-(2-tert-butylphenyl)propanamide?
3-(N-acetyl-2,4-difluoroanilino)-N-(2-tert-butylphenyl)propanamide has a molecular weight of 374.43 g/mol, XLogP of 4.64, 5 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-tert-butylphenyl)propanamide is sourced from PubChem (CID 113133488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).