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

C19H20F2N2O2 — CID 113125150

IUPAC3-(N-acetyl-2,3-dimethylanilino)-N-(3,4-difluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)c(F)c1)c1cccc(C)c1C
InChIInChI=1S/C19H20F2N2O2/c1-12-5-4-6-18(13(12)2)23(14(3)24)10-9-19(25)22-15-7-8-16(20)17(21)11-15/h4-8,11H,9-10H2,1-3H3,(H,22,25)
InChIKeyFIBYAKRWJORHBH-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.96
Rot. Bonds5

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

3-(N-acetyl-2,3-dimethylanilino)-N-(3,4-difluorophenyl)propanamide (PubChem CID 113125150) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 3-(N-acetyl-2,3-dimethylanilino)-N-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,3-dimethylanilino)-N-(3,4-difluorophenyl)propanamide
PubChem CID113125150
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name3-(N-acetyl-2,3-dimethylanilino)-N-(3,4-difluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)c(F)c1)c1cccc(C)c1C
InChIInChI=1S/C19H20F2N2O2/c1-12-5-4-6-18(13(12)2)23(14(3)24)10-9-19(25)22-15-7-8-16(20)17(21)11-15/h4-8,11H,9-10H2,1-3H3,(H,22,25)
InChIKeyFIBYAKRWJORHBH-UHFFFAOYSA-N
XLogP3.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(N-acetyl-2,3-dimethylanilino)-N-(3,4-difluorophenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)propanamide
CID 113127656
3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113123651
3-(N-acetyl-2,3-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113125073
3-(N-acetyl-2,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113133551
3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113132521
3-(N-acetyl-2,3-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113125081
3-(N-acetyl-4-chloroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113127507
2-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113171824
3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113123650
3-(N-acetyl-2-fluoroanilino)-N-(3-methylphenyl)propanamide
CID 113126717
3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-fluorophenyl)propanamide
CID 113127603
3-(N-acetyl-4-bromoanilino)-N-(3,4-difluorophenyl)propanamide
CID 113128648

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,3-dimethylanilino)-N-(3,4-difluorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,3-dimethylanilino)-N-(3,4-difluorophenyl)propanamide (CID 113125150) is 3-(N-acetyl-2,3-dimethylanilino)-N-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,3-dimethylanilino)-N-(3,4-difluorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,3-dimethylanilino)-N-(3,4-difluorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(F)c(F)c1)c1cccc(C)c1C.
What is the InChIKey of 3-(N-acetyl-2,3-dimethylanilino)-N-(3,4-difluorophenyl)propanamide?
The InChIKey is FIBYAKRWJORHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-12-5-4-6-18(13(12)2)23(14(3)24)10-9-19(25)22-15-7-8-16(20)17(21)11-15/h4-8,11H,9-10H2,1-3H3,(H,22,25).
What are the key properties of 3-(N-acetyl-2,3-dimethylanilino)-N-(3,4-difluorophenyl)propanamide?
3-(N-acetyl-2,3-dimethylanilino)-N-(3,4-difluorophenyl)propanamide has a molecular weight of 346.38 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,3-dimethylanilino)-N-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 113125150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).