3-(N-acetyl-2-fluoroanilino)-N-(2,6-dichlorophenyl)propanamide

C17H15Cl2FN2O2 — CID 113126804

IUPAC3-(N-acetyl-2-fluoroanilino)-N-(2,6-dichlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1F
InChIInChI=1S/C17H15Cl2FN2O2/c1-11(23)22(15-8-3-2-7-14(15)20)10-9-16(24)21-17-12(18)5-4-6-13(17)19/h2-8H,9-10H2,1H3,(H,21,24)
InChIKeyXPEFJMCTIUDCOB-UHFFFAOYSA-N
MW369.22 g/mol
LogP4.51
Rot. Bonds5

About 3-(N-acetyl-2-fluoroanilino)-N-(2,6-dichlorophenyl)propanamide

3-(N-acetyl-2-fluoroanilino)-N-(2,6-dichlorophenyl)propanamide (PubChem CID 113126804) has the molecular formula C17H15Cl2FN2O2 and a molecular weight of 369.22 g/mol. Its IUPAC name is 3-(N-acetyl-2-fluoroanilino)-N-(2,6-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-fluoroanilino)-N-(2,6-dichlorophenyl)propanamide
PubChem CID113126804
Molecular FormulaC17H15Cl2FN2O2
Molecular Weight369.22 g/mol
Exact Mass368.05
IUPAC Name3-(N-acetyl-2-fluoroanilino)-N-(2,6-dichlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1F
InChIInChI=1S/C17H15Cl2FN2O2/c1-11(23)22(15-8-3-2-7-14(15)20)10-9-16(24)21-17-12(18)5-4-6-13(17)19/h2-8H,9-10H2,1H3,(H,21,24)
InChIKeyXPEFJMCTIUDCOB-UHFFFAOYSA-N
XLogP4.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide
CID 113126739
3-(N-acetyl-3,4-difluoroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113135637
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113127797
3-(N-acetyl-2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide
CID 113127103
3-(N-acetyl-2-fluoroanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 113126745
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
3-(N-acetyl-2-fluoroanilino)-N-(3,5-dimethylphenyl)propanamide
CID 113126725
3-(N-acetyl-2-fluoroanilino)-N-propan-2-ylpropanamide
CID 113126629
3-(N-acetyl-3-chloroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113127330
3-(N-acetyl-2,3-dichloroanilino)-N-(2-chlorophenyl)propanamide
CID 113134341
3-(N-acetyl-2,3,4-trifluoroanilino)-N-(2,6-difluorophenyl)propanamide
CID 113135320

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-fluoroanilino)-N-(2,6-dichlorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-fluoroanilino)-N-(2,6-dichlorophenyl)propanamide (CID 113126804) is 3-(N-acetyl-2-fluoroanilino)-N-(2,6-dichlorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-fluoroanilino)-N-(2,6-dichlorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-fluoroanilino)-N-(2,6-dichlorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1F.
What is the InChIKey of 3-(N-acetyl-2-fluoroanilino)-N-(2,6-dichlorophenyl)propanamide?
The InChIKey is XPEFJMCTIUDCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2FN2O2/c1-11(23)22(15-8-3-2-7-14(15)20)10-9-16(24)21-17-12(18)5-4-6-13(17)19/h2-8H,9-10H2,1H3,(H,21,24).
What are the key properties of 3-(N-acetyl-2-fluoroanilino)-N-(2,6-dichlorophenyl)propanamide?
3-(N-acetyl-2-fluoroanilino)-N-(2,6-dichlorophenyl)propanamide has a molecular weight of 369.22 g/mol, XLogP of 4.51, 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-(2,6-dichlorophenyl)propanamide is sourced from PubChem (CID 113126804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).