3-(N-acetyl-4-fluoroanilino)-N-(3,5-dimethylphenyl)propanamide

C19H21FN2O2 — CID 113126915

IUPAC3-(N-acetyl-4-fluoroanilino)-N-(3,5-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(C)cc(C)c1)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O2/c1-13-10-14(2)12-17(11-13)21-19(24)8-9-22(15(3)23)18-6-4-16(20)5-7-18/h4-7,10-12H,8-9H2,1-3H3,(H,21,24)
InChIKeyHXPIGJZPLGXHFI-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.82
Rot. Bonds5

About 3-(N-acetyl-4-fluoroanilino)-N-(3,5-dimethylphenyl)propanamide

3-(N-acetyl-4-fluoroanilino)-N-(3,5-dimethylphenyl)propanamide (PubChem CID 113126915) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 3-(N-acetyl-4-fluoroanilino)-N-(3,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-fluoroanilino)-N-(3,5-dimethylphenyl)propanamide
PubChem CID113126915
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name3-(N-acetyl-4-fluoroanilino)-N-(3,5-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(C)cc(C)c1)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O2/c1-13-10-14(2)12-17(11-13)21-19(24)8-9-22(15(3)23)18-6-4-16(20)5-7-18/h4-7,10-12H,8-9H2,1-3H3,(H,21,24)
InChIKeyHXPIGJZPLGXHFI-UHFFFAOYSA-N
XLogP3.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 113126987
3-(N-acetyl-2-fluoroanilino)-N-(3,5-dimethylphenyl)propanamide
CID 113126725
3-(N-acetyl-4-cyanoanilino)-N-(4-fluorophenyl)propanamide
CID 113135117
3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 113131024
3-(N-acetyl-4-bromoanilino)-N-(3,4-difluorophenyl)propanamide
CID 113128648
3-(N-acetyl-4-chloroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113127507
3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide
CID 113127279
N-(3,5-dimethylphenyl)-3-(4-fluoroanilino)propanamide
CID 109035607
3-(N-acetyl-3,4-dimethylanilino)-N-(4-methylphenyl)propanamide
CID 113124546
2-(N-acetyl-4-fluoroanilino)-N-(4-fluorophenyl)acetamide
CID 113171016
3-(N-acetyl-4-ethylanilino)-N-(2,4-difluorophenyl)propanamide
CID 113125479
3-(N-acetyl-2-tert-butylanilino)-N-(3,5-dimethylphenyl)propanamide
CID 113126443

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-fluoroanilino)-N-(3,5-dimethylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-fluoroanilino)-N-(3,5-dimethylphenyl)propanamide (CID 113126915) is 3-(N-acetyl-4-fluoroanilino)-N-(3,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-fluoroanilino)-N-(3,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-fluoroanilino)-N-(3,5-dimethylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1cc(C)cc(C)c1)c1ccc(F)cc1.
What is the InChIKey of 3-(N-acetyl-4-fluoroanilino)-N-(3,5-dimethylphenyl)propanamide?
The InChIKey is HXPIGJZPLGXHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-13-10-14(2)12-17(11-13)21-19(24)8-9-22(15(3)23)18-6-4-16(20)5-7-18/h4-7,10-12H,8-9H2,1-3H3,(H,21,24).
What are the key properties of 3-(N-acetyl-4-fluoroanilino)-N-(3,5-dimethylphenyl)propanamide?
3-(N-acetyl-4-fluoroanilino)-N-(3,5-dimethylphenyl)propanamide has a molecular weight of 328.39 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-fluoroanilino)-N-(3,5-dimethylphenyl)propanamide is sourced from PubChem (CID 113126915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).