3-(N-acetyl-2,4-dimethylanilino)-N-(3-fluorophenyl)propanamide

C19H21FN2O2 — CID 113124261

IUPAC3-(N-acetyl-2,4-dimethylanilino)-N-(3-fluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(F)c1)c1ccc(C)cc1C
InChIInChI=1S/C19H21FN2O2/c1-13-7-8-18(14(2)11-13)22(15(3)23)10-9-19(24)21-17-6-4-5-16(20)12-17/h4-8,11-12H,9-10H2,1-3H3,(H,21,24)
InChIKeyFAYJNJVITMNFBF-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.82
Rot. Bonds5

About 3-(N-acetyl-2,4-dimethylanilino)-N-(3-fluorophenyl)propanamide

3-(N-acetyl-2,4-dimethylanilino)-N-(3-fluorophenyl)propanamide (PubChem CID 113124261) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 3-(N-acetyl-2,4-dimethylanilino)-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,4-dimethylanilino)-N-(3-fluorophenyl)propanamide
PubChem CID113124261
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name3-(N-acetyl-2,4-dimethylanilino)-N-(3-fluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(F)c1)c1ccc(C)cc1C
InChIInChI=1S/C19H21FN2O2/c1-13-7-8-18(14(2)11-13)22(15(3)23)10-9-19(24)21-17-6-4-5-16(20)12-17/h4-8,11-12H,9-10H2,1-3H3,(H,21,24)
InChIKeyFAYJNJVITMNFBF-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-2,4-dimethylanilino)-N-(3-acetylphenyl)propanamide
CID 113124249
3-(N-acetyl-2,4-dimethylanilino)-N-(3-chlorophenyl)propanamide
CID 113124224
3-(N-acetyl-2,4-dimethylanilino)-N-(4-bromophenyl)propanamide
CID 113124234
3-(N-acetyl-2,3,4-trifluoroanilino)-N-(3-methylphenyl)propanamide
CID 113135257
3-(N-acetyl-2-fluoroanilino)-N-(3-methylphenyl)propanamide
CID 113126717
3-(N-acetyl-2,5-dichloroanilino)-N-(3-fluorophenyl)propanamide
CID 113134036
3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113124205
2-(N-acetyl-4-bromo-2-methylanilino)-N-(3-fluorophenyl)acetamide
CID 113178126
3-(N-acetyl-2,4-dimethylanilino)-N-(2-ethyl-6-methylphenyl)propanamide
CID 113124213
3-(N-acetyl-2,4-dimethylanilino)-N-(4-cyanophenyl)propanamide
CID 113124281
3-(N-acetyl-2,4-dimethylanilino)-N-(4-ethoxyphenyl)propanamide
CID 113124239
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113127884

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,4-dimethylanilino)-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,4-dimethylanilino)-N-(3-fluorophenyl)propanamide (CID 113124261) is 3-(N-acetyl-2,4-dimethylanilino)-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,4-dimethylanilino)-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,4-dimethylanilino)-N-(3-fluorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1cccc(F)c1)c1ccc(C)cc1C.
What is the InChIKey of 3-(N-acetyl-2,4-dimethylanilino)-N-(3-fluorophenyl)propanamide?
The InChIKey is FAYJNJVITMNFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-13-7-8-18(14(2)11-13)22(15(3)23)10-9-19(24)21-17-6-4-5-16(20)12-17/h4-8,11-12H,9-10H2,1-3H3,(H,21,24).
What are the key properties of 3-(N-acetyl-2,4-dimethylanilino)-N-(3-fluorophenyl)propanamide?
3-(N-acetyl-2,4-dimethylanilino)-N-(3-fluorophenyl)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-2,4-dimethylanilino)-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 113124261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).