3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide

C17H16F2N2O2 — CID 113126739

IUPAC3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1F)c1ccccc1F
InChIInChI=1S/C17H16F2N2O2/c1-12(22)21(16-9-5-3-7-14(16)19)11-10-17(23)20-15-8-4-2-6-13(15)18/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyDRAFUOSWQNQAGE-UHFFFAOYSA-N
MW318.32 g/mol
LogP3.35
Rot. Bonds5

About 3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide

3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide (PubChem CID 113126739) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is 3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide
PubChem CID113126739
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1F)c1ccccc1F
InChIInChI=1S/C17H16F2N2O2/c1-12(22)21(16-9-5-3-7-14(16)19)11-10-17(23)20-15-8-4-2-6-13(15)18/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyDRAFUOSWQNQAGE-UHFFFAOYSA-N
XLogP3.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2-methoxyanilino)-N-(2-fluorophenyl)propanamide
CID 113128801
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-fluorophenyl)propanamide
CID 113129771
3-(N-acetyl-2-fluoroanilino)-N-(2-phenoxyphenyl)propanamide
CID 113126798
3-(N-acetyl-2-fluoroanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 113126745
3-[N-acetyl-4-(dimethylamino)anilino]-N-(2-fluorophenyl)propanamide
CID 113131770
3-(N-acetyl-2-fluoroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113126804
3-(N-acetyl-2-fluoroanilino)-N-(3,5-dimethylphenyl)propanamide
CID 113126725
3-(N-acetyl-2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)propanamide
CID 113126781
3-(N-acetyl-2-fluoroanilino)-N-propan-2-ylpropanamide
CID 113126629
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-fluorophenyl)propanamide
CID 113130144
3-(N-acetyl-2-fluoroanilino)-N-(3-methylphenyl)propanamide
CID 113126717
3-(N-acetyl-2-fluoroanilino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 113126806

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide (CID 113126739) is 3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1F)c1ccccc1F.
What is the InChIKey of 3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide?
The InChIKey is DRAFUOSWQNQAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c1-12(22)21(16-9-5-3-7-14(16)19)11-10-17(23)20-15-8-4-2-6-13(15)18/h2-9H,10-11H2,1H3,(H,20,23).
What are the key properties of 3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide?
3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide has a molecular weight of 318.32 g/mol, XLogP of 3.35, 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-fluoroanilino)-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 113126739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).