(2S)-2-(3-cyanophenoxy)-N-(2-phenylphenyl)propanamide

C22H18N2O2 — CID 7964176

IUPAC(2S)-2-(3-cyanophenoxy)-N-(2-phenylphenyl)propanamide
SMILESC[C@H](Oc1cccc(C#N)c1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C22H18N2O2/c1-16(26-19-11-7-8-17(14-19)15-23)22(25)24-21-13-6-5-12-20(21)18-9-3-2-4-10-18/h2-14,16H,1H3,(H,24,25)/t16-/m0/s1
InChIKeyWAAKNLDSVHUZET-INIZCTEOSA-N
MW342.40 g/mol
LogP4.63
Rot. Bonds5

About (2S)-2-(3-cyanophenoxy)-N-(2-phenylphenyl)propanamide

(2S)-2-(3-cyanophenoxy)-N-(2-phenylphenyl)propanamide (PubChem CID 7964176) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2S)-2-(3-cyanophenoxy)-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-cyanophenoxy)-N-(2-phenylphenyl)propanamide
PubChem CID7964176
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name(2S)-2-(3-cyanophenoxy)-N-(2-phenylphenyl)propanamide
SMILESC[C@H](Oc1cccc(C#N)c1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C22H18N2O2/c1-16(26-19-11-7-8-17(14-19)15-23)22(25)24-21-13-6-5-12-20(21)18-9-3-2-4-10-18/h2-14,16H,1H3,(H,24,25)/t16-/m0/s1
InChIKeyWAAKNLDSVHUZET-INIZCTEOSA-N
XLogP4.63
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-cyanophenoxy)-N-(2-phenylphenyl)propanamide
CID 7964177
(2R)-2-(3,5-dichlorophenoxy)-N-(2-phenylphenyl)propanamide
CID 7467157
2-(3-cyanophenoxy)-N-methylpropanamide
CID 43085589
(2R)-2-(3-cyanophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 7964286
2-(3-cyanophenoxy)-N-(2-fluoro-4-methylphenyl)propanamide
CID 75800083
(2S)-2-(4-acetylphenoxy)-N-(2-phenylphenyl)propanamide
CID 7763807
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2-phenylphenyl)propanamide
CID 7794737
(2S)-2-(3-cyanophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 7964261
(2R)-2-(3-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 7964267
[2-oxo-2-(2-phenylanilino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7978126
(2R)-2-(4-cyanophenoxy)-N-(2-phenoxyphenyl)propanamide
CID 26524467
(2S)-2-(4-cyanophenoxy)-N-(2-phenoxyphenyl)propanamide
CID 26524469

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-cyanophenoxy)-N-(2-phenylphenyl)propanamide?
The IUPAC name of (2S)-2-(3-cyanophenoxy)-N-(2-phenylphenyl)propanamide (CID 7964176) is (2S)-2-(3-cyanophenoxy)-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(3-cyanophenoxy)-N-(2-phenylphenyl)propanamide?
The canonical SMILES for (2S)-2-(3-cyanophenoxy)-N-(2-phenylphenyl)propanamide is C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of (2S)-2-(3-cyanophenoxy)-N-(2-phenylphenyl)propanamide?
The InChIKey is WAAKNLDSVHUZET-INIZCTEOSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-16(26-19-11-7-8-17(14-19)15-23)22(25)24-21-13-6-5-12-20(21)18-9-3-2-4-10-18/h2-14,16H,1H3,(H,24,25)/t16-/m0/s1.
What are the key properties of (2S)-2-(3-cyanophenoxy)-N-(2-phenylphenyl)propanamide?
(2S)-2-(3-cyanophenoxy)-N-(2-phenylphenyl)propanamide has a molecular weight of 342.40 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-cyanophenoxy)-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 7964176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).