(2R)-N-(2,5-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide

C23H22FNO — CID 850717

IUPAC(2R)-N-(2,5-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)[C@H](C)c2ccc(-c3ccccc3)c(F)c2)c1
InChIInChI=1S/C23H22FNO/c1-15-9-10-16(2)22(13-15)25-23(26)17(3)19-11-12-20(21(24)14-19)18-7-5-4-6-8-18/h4-14,17H,1-3H3,(H,25,26)/t17-/m1/s1
InChIKeyJKLSDELKDUEBDX-QGZVFWFLSA-N
MW347.43 g/mol
LogP5.85
Rot. Bonds4

About (2R)-N-(2,5-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide

(2R)-N-(2,5-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide (PubChem CID 850717) has the molecular formula C23H22FNO and a molecular weight of 347.43 g/mol. Its IUPAC name is (2R)-N-(2,5-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-N-(2,5-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide
PubChem CID850717
Molecular FormulaC23H22FNO
Molecular Weight347.43 g/mol
Exact Mass347.17
IUPAC Name(2R)-N-(2,5-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)[C@H](C)c2ccc(-c3ccccc3)c(F)c2)c1
InChIInChI=1S/C23H22FNO/c1-15-9-10-16(2)22(13-15)25-23(26)17(3)19-11-12-20(21(24)14-19)18-7-5-4-6-8-18/h4-14,17H,1-3H3,(H,25,26)/t17-/m1/s1
InChIKeyJKLSDELKDUEBDX-QGZVFWFLSA-N
XLogP5.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.43
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,4-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide
CID 11841736
(2R)-2-(3-fluoro-4-phenylphenyl)-N-(2-methylphenyl)propanamide
CID 850709
N-[2-(chloromethyl)phenyl]-2-(3-fluoro-4-phenylphenyl)propanamide
CID 11233966
(2S)-N-(3,5-difluorophenyl)-2-(3-fluoro-4-phenylphenyl)propanamide
CID 985824
2-(3-fluoro-4-phenylphenyl)-N-[(4-methylphenyl)carbamothioyl]propanamide
CID 139232887
(2S)-2-(3-benzoylphenyl)-N-(2,5-dimethylphenyl)propanamide
CID 1019515
[2-[2-(3-fluoro-4-phenylphenyl)propanoylamino]phenyl]methyl nitrate
CID 11200241
2-(3-fluoro-4-phenylphenyl)propanoyl chloride
CID 11032707
sodium;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride
CID 172995337
(2R)-2-(3-fluoro-4-phenylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 67307773
sodium;carbonic acid;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride
CID 173161937
ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate
CID 95242614

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide?
The IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide (CID 850717) is (2R)-N-(2,5-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide.
What is the SMILES notation for (2R)-N-(2,5-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide?
The canonical SMILES for (2R)-N-(2,5-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide is Cc1ccc(C)c(NC(=O)[C@H](C)c2ccc(-c3ccccc3)c(F)c2)c1.
What is the InChIKey of (2R)-N-(2,5-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide?
The InChIKey is JKLSDELKDUEBDX-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H22FNO/c1-15-9-10-16(2)22(13-15)25-23(26)17(3)19-11-12-20(21(24)14-19)18-7-5-4-6-8-18/h4-14,17H,1-3H3,(H,25,26)/t17-/m1/s1.
What are the key properties of (2R)-N-(2,5-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide?
(2R)-N-(2,5-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide has a molecular weight of 347.43 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,5-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide is sourced from PubChem (CID 850717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).