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3-(N-acetyl-4-chloroanilino)-N-(3,4-difluorophenyl)propanamide

C17H15ClF2N2O2 — CID 113127507

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-(N-acetyl-4-chloroanilino)-N-(3,4-difluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)c(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClF2N2O2/c1-11(23)22(14-5-2-12(18)3-6-14)9-8-17(24)21-13-4-7-15(19)16(20)10-13/h2-7,10H,8-9H2,1H3,(H,21,24)
InChIKeyGJIRERIZGJDQGJ-UHFFFAOYSA-N
MW352.77 g/mol
LogP4.00
Rot. Bonds5

About 3-(N-acetyl-4-chloroanilino)-N-(3,4-difluorophenyl)propanamide

3-(N-acetyl-4-chloroanilino)-N-(3,4-difluorophenyl)propanamide (PubChem CID 113127507) has the molecular formula C17H15ClF2N2O2 and a molecular weight of 352.77 g/mol. Its IUPAC name is 3-(N-acetyl-4-chloroanilino)-N-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-chloroanilino)-N-(3,4-difluorophenyl)propanamide
PubChem CID113127507
Molecular FormulaC17H15ClF2N2O2
Molecular Weight352.77 g/mol
Exact Mass352.08
IUPAC Name3-(N-acetyl-4-chloroanilino)-N-(3,4-difluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)c(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClF2N2O2/c1-11(23)22(14-5-2-12(18)3-6-14)9-8-17(24)21-13-4-7-15(19)16(20)10-13/h2-7,10H,8-9H2,1H3,(H,21,24)
InChIKeyGJIRERIZGJDQGJ-UHFFFAOYSA-N
XLogP4.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-chloroanilino)-N-(3,4-difluorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-chloroanilino)-N-(3,4-difluorophenyl)propanamide (CID 113127507) is 3-(N-acetyl-4-chloroanilino)-N-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-chloroanilino)-N-(3,4-difluorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-chloroanilino)-N-(3,4-difluorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(F)c(F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(N-acetyl-4-chloroanilino)-N-(3,4-difluorophenyl)propanamide?
The InChIKey is GJIRERIZGJDQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N2O2/c1-11(23)22(14-5-2-12(18)3-6-14)9-8-17(24)21-13-4-7-15(19)16(20)10-13/h2-7,10H,8-9H2,1H3,(H,21,24).
What are the key properties of 3-(N-acetyl-4-chloroanilino)-N-(3,4-difluorophenyl)propanamide?
3-(N-acetyl-4-chloroanilino)-N-(3,4-difluorophenyl)propanamide has a molecular weight of 352.77 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-chloroanilino)-N-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 113127507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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