2-(3-fluoro-4-phenylphenyl)-N-phenylpropanamide

C21H18FNO — CID 11841732

IUPAC2-(3-fluoro-4-phenylphenyl)-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C21H18FNO/c1-15(21(24)23-18-10-6-3-7-11-18)17-12-13-19(20(22)14-17)16-8-4-2-5-9-16/h2-15H,1H3,(H,23,24)
InChIKeyHPPYIDUIGBJQDF-UHFFFAOYSA-N
MW319.38 g/mol
LogP5.23
Rot. Bonds4

About 2-(3-fluoro-4-phenylphenyl)-N-phenylpropanamide

2-(3-fluoro-4-phenylphenyl)-N-phenylpropanamide (PubChem CID 11841732) has the molecular formula C21H18FNO and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-(3-fluoro-4-phenylphenyl)-N-phenylpropanamide.

Molecular Properties

Compound Name2-(3-fluoro-4-phenylphenyl)-N-phenylpropanamide
PubChem CID11841732
Molecular FormulaC21H18FNO
Molecular Weight319.38 g/mol
Exact Mass319.14
IUPAC Name2-(3-fluoro-4-phenylphenyl)-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C21H18FNO/c1-15(21(24)23-18-10-6-3-7-11-18)17-12-13-19(20(22)14-17)16-8-4-2-5-9-16/h2-15H,1H3,(H,23,24)
InChIKeyHPPYIDUIGBJQDF-UHFFFAOYSA-N
XLogP5.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.38
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-phenylphenyl)-N-phenylpropanamide?
The IUPAC name of 2-(3-fluoro-4-phenylphenyl)-N-phenylpropanamide (CID 11841732) is 2-(3-fluoro-4-phenylphenyl)-N-phenylpropanamide.
What is the SMILES notation for 2-(3-fluoro-4-phenylphenyl)-N-phenylpropanamide?
The canonical SMILES for 2-(3-fluoro-4-phenylphenyl)-N-phenylpropanamide is CC(C(=O)Nc1ccccc1)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-phenylphenyl)-N-phenylpropanamide?
The InChIKey is HPPYIDUIGBJQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO/c1-15(21(24)23-18-10-6-3-7-11-18)17-12-13-19(20(22)14-17)16-8-4-2-5-9-16/h2-15H,1H3,(H,23,24).
What are the key properties of 2-(3-fluoro-4-phenylphenyl)-N-phenylpropanamide?
2-(3-fluoro-4-phenylphenyl)-N-phenylpropanamide has a molecular weight of 319.38 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-phenylphenyl)-N-phenylpropanamide is sourced from PubChem (CID 11841732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).