N-(2,2-difluoro-1-phenylpropyl)propanamide

C12H15F2NO — CID 134986315

IUPACN-(2,2-difluoro-1-phenylpropyl)propanamide
SMILESCCC(=O)NC(c1ccccc1)C(C)(F)F
InChIInChI=1S/C12H15F2NO/c1-3-10(16)15-11(12(2,13)14)9-7-5-4-6-8-9/h4-8,11H,3H2,1-2H3,(H,15,16)
InChIKeyYTHVCOCAVZNMAY-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.91
Rot. Bonds4

About N-(2,2-difluoro-1-phenylpropyl)propanamide

N-(2,2-difluoro-1-phenylpropyl)propanamide (PubChem CID 134986315) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is N-(2,2-difluoro-1-phenylpropyl)propanamide.

Molecular Properties

Compound NameN-(2,2-difluoro-1-phenylpropyl)propanamide
PubChem CID134986315
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC NameN-(2,2-difluoro-1-phenylpropyl)propanamide
SMILESCCC(=O)NC(c1ccccc1)C(C)(F)F
InChIInChI=1S/C12H15F2NO/c1-3-10(16)15-11(12(2,13)14)9-7-5-4-6-8-9/h4-8,11H,3H2,1-2H3,(H,15,16)
InChIKeyYTHVCOCAVZNMAY-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1-phenylpropyl)propanamide?
The IUPAC name of N-(2,2-difluoro-1-phenylpropyl)propanamide (CID 134986315) is N-(2,2-difluoro-1-phenylpropyl)propanamide.
What is the SMILES notation for N-(2,2-difluoro-1-phenylpropyl)propanamide?
The canonical SMILES for N-(2,2-difluoro-1-phenylpropyl)propanamide is CCC(=O)NC(c1ccccc1)C(C)(F)F.
What is the InChIKey of N-(2,2-difluoro-1-phenylpropyl)propanamide?
The InChIKey is YTHVCOCAVZNMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-3-10(16)15-11(12(2,13)14)9-7-5-4-6-8-9/h4-8,11H,3H2,1-2H3,(H,15,16).
What are the key properties of N-(2,2-difluoro-1-phenylpropyl)propanamide?
N-(2,2-difluoro-1-phenylpropyl)propanamide has a molecular weight of 227.25 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1-phenylpropyl)propanamide is sourced from PubChem (CID 134986315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).