N-[2,2-difluoro-1-(4-methylphenyl)propyl]propanamide

C13H17F2NO — CID 134937926

IUPACN-[2,2-difluoro-1-(4-methylphenyl)propyl]propanamide
SMILESCCC(=O)NC(c1ccc(C)cc1)C(C)(F)F
InChIInChI=1S/C13H17F2NO/c1-4-11(17)16-12(13(3,14)15)10-7-5-9(2)6-8-10/h5-8,12H,4H2,1-3H3,(H,16,17)
InChIKeyKOGXOWKLOICLST-UHFFFAOYSA-N
MW241.28 g/mol
LogP3.22
Rot. Bonds4

About N-[2,2-difluoro-1-(4-methylphenyl)propyl]propanamide

N-[2,2-difluoro-1-(4-methylphenyl)propyl]propanamide (PubChem CID 134937926) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is N-[2,2-difluoro-1-(4-methylphenyl)propyl]propanamide.

Molecular Properties

Compound NameN-[2,2-difluoro-1-(4-methylphenyl)propyl]propanamide
PubChem CID134937926
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC NameN-[2,2-difluoro-1-(4-methylphenyl)propyl]propanamide
SMILESCCC(=O)NC(c1ccc(C)cc1)C(C)(F)F
InChIInChI=1S/C13H17F2NO/c1-4-11(17)16-12(13(3,14)15)10-7-5-9(2)6-8-10/h5-8,12H,4H2,1-3H3,(H,16,17)
InChIKeyKOGXOWKLOICLST-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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CID 23648300
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-methylphenyl)phenyl]ethyl]amino}pentanamide
CID 23648301

Frequently Asked Questions

What is the IUPAC name of N-[2,2-difluoro-1-(4-methylphenyl)propyl]propanamide?
The IUPAC name of N-[2,2-difluoro-1-(4-methylphenyl)propyl]propanamide (CID 134937926) is N-[2,2-difluoro-1-(4-methylphenyl)propyl]propanamide.
What is the SMILES notation for N-[2,2-difluoro-1-(4-methylphenyl)propyl]propanamide?
The canonical SMILES for N-[2,2-difluoro-1-(4-methylphenyl)propyl]propanamide is CCC(=O)NC(c1ccc(C)cc1)C(C)(F)F.
What is the InChIKey of N-[2,2-difluoro-1-(4-methylphenyl)propyl]propanamide?
The InChIKey is KOGXOWKLOICLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-4-11(17)16-12(13(3,14)15)10-7-5-9(2)6-8-10/h5-8,12H,4H2,1-3H3,(H,16,17).
What are the key properties of N-[2,2-difluoro-1-(4-methylphenyl)propyl]propanamide?
N-[2,2-difluoro-1-(4-methylphenyl)propyl]propanamide has a molecular weight of 241.28 g/mol, XLogP of 3.22, 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-(4-methylphenyl)propyl]propanamide is sourced from PubChem (CID 134937926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).