2-[4-[(4-fluorophenyl)methyl]phenyl]-2-methylpropanamide

C17H18FNO — CID 70707919

IUPAC2-[4-[(4-fluorophenyl)methyl]phenyl]-2-methylpropanamide
SMILESCC(C)(C(N)=O)c1ccc(Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO/c1-17(2,16(19)20)14-7-3-12(4-8-14)11-13-5-9-15(18)10-6-13/h3-10H,11H2,1-2H3,(H2,19,20)
InChIKeyGLFJDUVSZXGSIM-UHFFFAOYSA-N
MW271.33 g/mol
LogP3.18
Rot. Bonds4

About 2-[4-[(4-fluorophenyl)methyl]phenyl]-2-methylpropanamide

2-[4-[(4-fluorophenyl)methyl]phenyl]-2-methylpropanamide (PubChem CID 70707919) has the molecular formula C17H18FNO and a molecular weight of 271.33 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methyl]phenyl]-2-methylpropanamide
PubChem CID70707919
Molecular FormulaC17H18FNO
Molecular Weight271.33 g/mol
Exact Mass271.14
IUPAC Name2-[4-[(4-fluorophenyl)methyl]phenyl]-2-methylpropanamide
SMILESCC(C)(C(N)=O)c1ccc(Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO/c1-17(2,16(19)20)14-7-3-12(4-8-14)11-13-5-9-15(18)10-6-13/h3-10H,11H2,1-2H3,(H2,19,20)
InChIKeyGLFJDUVSZXGSIM-UHFFFAOYSA-N
XLogP3.18
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Dsp-0565
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methyl]phenyl]-2-methylpropanamide?
The IUPAC name of 2-[4-[(4-fluorophenyl)methyl]phenyl]-2-methylpropanamide (CID 70707919) is 2-[4-[(4-fluorophenyl)methyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methyl]phenyl]-2-methylpropanamide?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methyl]phenyl]-2-methylpropanamide is CC(C)(C(N)=O)c1ccc(Cc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methyl]phenyl]-2-methylpropanamide?
The InChIKey is GLFJDUVSZXGSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-17(2,16(19)20)14-7-3-12(4-8-14)11-13-5-9-15(18)10-6-13/h3-10H,11H2,1-2H3,(H2,19,20).
What are the key properties of 2-[4-[(4-fluorophenyl)methyl]phenyl]-2-methylpropanamide?
2-[4-[(4-fluorophenyl)methyl]phenyl]-2-methylpropanamide has a molecular weight of 271.33 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 70707919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).