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N-(2,4-difluoro-3-propan-2-ylphenyl)butanamide

C13H17F2NO — CID 177029806

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

IUPACN-(2,4-difluoro-3-propan-2-ylphenyl)butanamide
SMILESCCCC(=O)Nc1ccc(F)c(C(C)C)c1F
InChIInChI=1S/C13H17F2NO/c1-4-5-11(17)16-10-7-6-9(14)12(8(2)3)13(10)15/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeySMXVXMIONWZTEH-UHFFFAOYSA-N
MW241.28 g/mol
LogP3.83
Rot. Bonds4

About N-(2,4-difluoro-3-propan-2-ylphenyl)butanamide

N-(2,4-difluoro-3-propan-2-ylphenyl)butanamide (PubChem CID 177029806) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is N-(2,4-difluoro-3-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound NameN-(2,4-difluoro-3-propan-2-ylphenyl)butanamide
PubChem CID177029806
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC NameN-(2,4-difluoro-3-propan-2-ylphenyl)butanamide
SMILESCCCC(=O)Nc1ccc(F)c(C(C)C)c1F
InChIInChI=1S/C13H17F2NO/c1-4-5-11(17)16-10-7-6-9(14)12(8(2)3)13(10)15/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeySMXVXMIONWZTEH-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluoro-3-propan-2-ylphenyl)butanamide?
The IUPAC name of N-(2,4-difluoro-3-propan-2-ylphenyl)butanamide (CID 177029806) is N-(2,4-difluoro-3-propan-2-ylphenyl)butanamide.
What is the SMILES notation for N-(2,4-difluoro-3-propan-2-ylphenyl)butanamide?
The canonical SMILES for N-(2,4-difluoro-3-propan-2-ylphenyl)butanamide is CCCC(=O)Nc1ccc(F)c(C(C)C)c1F.
What is the InChIKey of N-(2,4-difluoro-3-propan-2-ylphenyl)butanamide?
The InChIKey is SMXVXMIONWZTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-4-5-11(17)16-10-7-6-9(14)12(8(2)3)13(10)15/h6-8H,4-5H2,1-3H3,(H,16,17).
What are the key properties of N-(2,4-difluoro-3-propan-2-ylphenyl)butanamide?
N-(2,4-difluoro-3-propan-2-ylphenyl)butanamide has a molecular weight of 241.28 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluoro-3-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 177029806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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