3-(N-acetyl-2,5-dichloroanilino)-N-(3-fluorophenyl)propanamide

C17H15Cl2FN2O2 — CID 113134036

IUPAC3-(N-acetyl-2,5-dichloroanilino)-N-(3-fluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(F)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H15Cl2FN2O2/c1-11(23)22(16-9-12(18)5-6-15(16)19)8-7-17(24)21-14-4-2-3-13(20)10-14/h2-6,9-10H,7-8H2,1H3,(H,21,24)
InChIKeyYKEHIFRLYBIGLP-UHFFFAOYSA-N
MW369.22 g/mol
LogP4.51
Rot. Bonds5

About 3-(N-acetyl-2,5-dichloroanilino)-N-(3-fluorophenyl)propanamide

3-(N-acetyl-2,5-dichloroanilino)-N-(3-fluorophenyl)propanamide (PubChem CID 113134036) has the molecular formula C17H15Cl2FN2O2 and a molecular weight of 369.22 g/mol. Its IUPAC name is 3-(N-acetyl-2,5-dichloroanilino)-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,5-dichloroanilino)-N-(3-fluorophenyl)propanamide
PubChem CID113134036
Molecular FormulaC17H15Cl2FN2O2
Molecular Weight369.22 g/mol
Exact Mass368.05
IUPAC Name3-(N-acetyl-2,5-dichloroanilino)-N-(3-fluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(F)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H15Cl2FN2O2/c1-11(23)22(16-9-12(18)5-6-15(16)19)8-7-17(24)21-14-4-2-3-13(20)10-14/h2-6,9-10H,7-8H2,1H3,(H,21,24)
InChIKeyYKEHIFRLYBIGLP-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-2,4-dichloroanilino)-N-(3-acetylphenyl)propanamide
CID 113133926
3-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(3-fluorophenyl)propanamide
CID 113134411
2-(N-acetyl-2,4-dichloroanilino)-N-(3-fluorophenyl)acetamide
CID 113179657
3-(N-acetyl-3-fluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113132453
3-(N-acetyl-2,6-difluoroanilino)-N-(3-chlorophenyl)propanamide
CID 113135426
3-(N-acetyl-2,4-dimethylanilino)-N-(3-fluorophenyl)propanamide
CID 113124261
3-(N-acetyl-2,5-dichloroanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113134010
3-(N-acetyl-3-fluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113132451
3-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)propanamide
CID 113127656
3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113132521
3-(N-acetyl-2,6-difluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113135432
3-(N-acetyl-2-bromoanilino)-N-(3-chlorophenyl)propanamide
CID 113132588

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,5-dichloroanilino)-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,5-dichloroanilino)-N-(3-fluorophenyl)propanamide (CID 113134036) is 3-(N-acetyl-2,5-dichloroanilino)-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,5-dichloroanilino)-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,5-dichloroanilino)-N-(3-fluorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1cccc(F)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 3-(N-acetyl-2,5-dichloroanilino)-N-(3-fluorophenyl)propanamide?
The InChIKey is YKEHIFRLYBIGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2FN2O2/c1-11(23)22(16-9-12(18)5-6-15(16)19)8-7-17(24)21-14-4-2-3-13(20)10-14/h2-6,9-10H,7-8H2,1H3,(H,21,24).
What are the key properties of 3-(N-acetyl-2,5-dichloroanilino)-N-(3-fluorophenyl)propanamide?
3-(N-acetyl-2,5-dichloroanilino)-N-(3-fluorophenyl)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-2,5-dichloroanilino)-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 113134036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).