(2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide

C21H19FN2O — CID 7830345

IUPAC(2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
SMILESC[C@H](Nc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C21H19FN2O/c1-15(21(25)24-20-13-9-18(22)10-14-20)23-19-11-7-17(8-12-19)16-5-3-2-4-6-16/h2-15,23H,1H3,(H,24,25)/t15-/m0/s1
InChIKeyJMSFOSNWLGLLFU-HNNXBMFYSA-N
MW334.39 g/mol
LogP4.93
Rot. Bonds5

About (2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide

(2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide (PubChem CID 7830345) has the molecular formula C21H19FN2O and a molecular weight of 334.39 g/mol. Its IUPAC name is (2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
PubChem CID7830345
Molecular FormulaC21H19FN2O
Molecular Weight334.39 g/mol
Exact Mass334.15
IUPAC Name(2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
SMILESC[C@H](Nc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C21H19FN2O/c1-15(21(25)24-20-13-9-18(22)10-14-20)23-19-11-7-17(8-12-19)16-5-3-2-4-6-16/h2-15,23H,1H3,(H,24,25)/t15-/m0/s1
InChIKeyJMSFOSNWLGLLFU-HNNXBMFYSA-N
XLogP4.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 4879692
4-[2-(4-phenylanilino)propanoylamino]benzamide
CID 78667343
4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide
CID 32736130
(2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide
CID 7509574
N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148415
N-(2-chlorophenyl)-2-(4-fluoroanilino)propanamide
CID 51242355
2-(4-fluoroanilino)-N-(3-methylphenyl)propanamide
CID 46757746
2-(4-fluoroanilino)-N-(4-nitrophenyl)propanamide
CID 47005812
2-(3,4-difluoroanilino)-N-phenylpropanamide
CID 43088769
2-(4-fluoroanilino)-N-(2-methoxyphenyl)propanamide
CID 46757748
N-(4-fluorophenyl)-2-phenylpropanamide
CID 2940269
(2S)-2-(4-fluoroanilino)-N-naphthalen-1-ylpropanamide
CID 32736092

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide?
The IUPAC name of (2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide (CID 7830345) is (2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide.
What is the SMILES notation for (2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide?
The canonical SMILES for (2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide is C[C@H](Nc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of (2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide?
The InChIKey is JMSFOSNWLGLLFU-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H19FN2O/c1-15(21(25)24-20-13-9-18(22)10-14-20)23-19-11-7-17(8-12-19)16-5-3-2-4-6-16/h2-15,23H,1H3,(H,24,25)/t15-/m0/s1.
What are the key properties of (2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide?
(2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide has a molecular weight of 334.39 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide is sourced from PubChem (CID 7830345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).