(2S)-N-(3,5-difluorophenyl)-2-(3-fluoro-4-phenylphenyl)propanamide

C21H16F3NO — CID 985824

IUPAC(2S)-N-(3,5-difluorophenyl)-2-(3-fluoro-4-phenylphenyl)propanamide
SMILESC[C@H](C(=O)Nc1cc(F)cc(F)c1)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C21H16F3NO/c1-13(21(26)25-18-11-16(22)10-17(23)12-18)15-7-8-19(20(24)9-15)14-5-3-2-4-6-14/h2-13H,1H3,(H,25,26)/t13-/m0/s1
InChIKeyLBUMKHQTDMIDBX-ZDUSSCGKSA-N
MW355.36 g/mol
LogP5.51
Rot. Bonds4

About (2S)-N-(3,5-difluorophenyl)-2-(3-fluoro-4-phenylphenyl)propanamide

(2S)-N-(3,5-difluorophenyl)-2-(3-fluoro-4-phenylphenyl)propanamide (PubChem CID 985824) has the molecular formula C21H16F3NO and a molecular weight of 355.36 g/mol. Its IUPAC name is (2S)-N-(3,5-difluorophenyl)-2-(3-fluoro-4-phenylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-N-(3,5-difluorophenyl)-2-(3-fluoro-4-phenylphenyl)propanamide
PubChem CID985824
Molecular FormulaC21H16F3NO
Molecular Weight355.36 g/mol
Exact Mass355.12
IUPAC Name(2S)-N-(3,5-difluorophenyl)-2-(3-fluoro-4-phenylphenyl)propanamide
SMILESC[C@H](C(=O)Nc1cc(F)cc(F)c1)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C21H16F3NO/c1-13(21(26)25-18-11-16(22)10-17(23)12-18)15-7-8-19(20(24)9-15)14-5-3-2-4-6-14/h2-13H,1H3,(H,25,26)/t13-/m0/s1
InChIKeyLBUMKHQTDMIDBX-ZDUSSCGKSA-N
XLogP5.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.36
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,5-difluorophenyl)-2-(3-fluoro-4-phenylphenyl)propanamide?
The IUPAC name of (2S)-N-(3,5-difluorophenyl)-2-(3-fluoro-4-phenylphenyl)propanamide (CID 985824) is (2S)-N-(3,5-difluorophenyl)-2-(3-fluoro-4-phenylphenyl)propanamide.
What is the SMILES notation for (2S)-N-(3,5-difluorophenyl)-2-(3-fluoro-4-phenylphenyl)propanamide?
The canonical SMILES for (2S)-N-(3,5-difluorophenyl)-2-(3-fluoro-4-phenylphenyl)propanamide is C[C@H](C(=O)Nc1cc(F)cc(F)c1)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of (2S)-N-(3,5-difluorophenyl)-2-(3-fluoro-4-phenylphenyl)propanamide?
The InChIKey is LBUMKHQTDMIDBX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H16F3NO/c1-13(21(26)25-18-11-16(22)10-17(23)12-18)15-7-8-19(20(24)9-15)14-5-3-2-4-6-14/h2-13H,1H3,(H,25,26)/t13-/m0/s1.
What are the key properties of (2S)-N-(3,5-difluorophenyl)-2-(3-fluoro-4-phenylphenyl)propanamide?
(2S)-N-(3,5-difluorophenyl)-2-(3-fluoro-4-phenylphenyl)propanamide has a molecular weight of 355.36 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,5-difluorophenyl)-2-(3-fluoro-4-phenylphenyl)propanamide is sourced from PubChem (CID 985824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).