3,3-difluoro-3-[4-(4-methylphenyl)phenyl]propanamide

C16H15F2NO — CID 142387183

IUPAC3,3-difluoro-3-[4-(4-methylphenyl)phenyl]propanamide
SMILESCc1ccc(-c2ccc(C(F)(F)CC(N)=O)cc2)cc1
InChIInChI=1S/C16H15F2NO/c1-11-2-4-12(5-3-11)13-6-8-14(9-7-13)16(17,18)10-15(19)20/h2-9H,10H2,1H3,(H2,19,20)
InChIKeyUAVOCHOEEUZTFK-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.63
Rot. Bonds4

About 3,3-difluoro-3-[4-(4-methylphenyl)phenyl]propanamide

3,3-difluoro-3-[4-(4-methylphenyl)phenyl]propanamide (PubChem CID 142387183) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is 3,3-difluoro-3-[4-(4-methylphenyl)phenyl]propanamide.

Molecular Properties

Compound Name3,3-difluoro-3-[4-(4-methylphenyl)phenyl]propanamide
PubChem CID142387183
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name3,3-difluoro-3-[4-(4-methylphenyl)phenyl]propanamide
SMILESCc1ccc(-c2ccc(C(F)(F)CC(N)=O)cc2)cc1
InChIInChI=1S/C16H15F2NO/c1-11-2-4-12(5-3-11)13-6-8-14(9-7-13)16(17,18)10-15(19)20/h2-9H,10H2,1H3,(H2,19,20)
InChIKeyUAVOCHOEEUZTFK-UHFFFAOYSA-N
XLogP3.63
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-3-[4-(4-methylphenyl)phenyl]propanamide?
The IUPAC name of 3,3-difluoro-3-[4-(4-methylphenyl)phenyl]propanamide (CID 142387183) is 3,3-difluoro-3-[4-(4-methylphenyl)phenyl]propanamide.
What is the SMILES notation for 3,3-difluoro-3-[4-(4-methylphenyl)phenyl]propanamide?
The canonical SMILES for 3,3-difluoro-3-[4-(4-methylphenyl)phenyl]propanamide is Cc1ccc(-c2ccc(C(F)(F)CC(N)=O)cc2)cc1.
What is the InChIKey of 3,3-difluoro-3-[4-(4-methylphenyl)phenyl]propanamide?
The InChIKey is UAVOCHOEEUZTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c1-11-2-4-12(5-3-11)13-6-8-14(9-7-13)16(17,18)10-15(19)20/h2-9H,10H2,1H3,(H2,19,20).
What are the key properties of 3,3-difluoro-3-[4-(4-methylphenyl)phenyl]propanamide?
3,3-difluoro-3-[4-(4-methylphenyl)phenyl]propanamide has a molecular weight of 275.30 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-3-[4-(4-methylphenyl)phenyl]propanamide is sourced from PubChem (CID 142387183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).