(2S)-N-(3-cyanophenyl)-2-(2-fluorophenoxy)propanamide

C16H13FN2O2 — CID 7815212

IUPAC(2S)-N-(3-cyanophenyl)-2-(2-fluorophenoxy)propanamide
SMILESC[C@H](Oc1ccccc1F)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C16H13FN2O2/c1-11(21-15-8-3-2-7-14(15)17)16(20)19-13-6-4-5-12(9-13)10-18/h2-9,11H,1H3,(H,19,20)/t11-/m0/s1
InChIKeyBOANNAJHTQFDJP-NSHDSACASA-N
MW284.29 g/mol
LogP3.10
Rot. Bonds4

About (2S)-N-(3-cyanophenyl)-2-(2-fluorophenoxy)propanamide

(2S)-N-(3-cyanophenyl)-2-(2-fluorophenoxy)propanamide (PubChem CID 7815212) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is (2S)-N-(3-cyanophenyl)-2-(2-fluorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(3-cyanophenyl)-2-(2-fluorophenoxy)propanamide
PubChem CID7815212
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name(2S)-N-(3-cyanophenyl)-2-(2-fluorophenoxy)propanamide
SMILESC[C@H](Oc1ccccc1F)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C16H13FN2O2/c1-11(21-15-8-3-2-7-14(15)17)16(20)19-13-6-4-5-12(9-13)10-18/h2-9,11H,1H3,(H,19,20)/t11-/m0/s1
InChIKeyBOANNAJHTQFDJP-NSHDSACASA-N
XLogP3.10
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-cyanophenyl)-2-(2-nitrophenoxy)propanamide
CID 7819136
(2S)-N-(3-chlorophenyl)-2-(2-fluorophenoxy)propanamide
CID 887599
N-(3-cyanophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 16529582
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)acetate
CID 8661272
(2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide
CID 7642457
(2R)-2-(3-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 7964267
(2R)-N-(3-cyanophenyl)-2-(3-iodophenoxy)propanamide
CID 7694555
(2R)-N-(2-cyanophenyl)-2-(2-fluorophenoxy)propanamide
CID 7894228
(2S)-2-amino-N-(3-cyanophenyl)propanamide
CID 22690609
2-(4-acetylphenoxy)-N-(3-cyanophenyl)propanamide
CID 17450699
(2R)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenoxy)propanamide
CID 31901152
N-(3-cyanophenyl)-2-ethoxypropanamide
CID 43187565

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-cyanophenyl)-2-(2-fluorophenoxy)propanamide?
The IUPAC name of (2S)-N-(3-cyanophenyl)-2-(2-fluorophenoxy)propanamide (CID 7815212) is (2S)-N-(3-cyanophenyl)-2-(2-fluorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(3-cyanophenyl)-2-(2-fluorophenoxy)propanamide?
The canonical SMILES for (2S)-N-(3-cyanophenyl)-2-(2-fluorophenoxy)propanamide is C[C@H](Oc1ccccc1F)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of (2S)-N-(3-cyanophenyl)-2-(2-fluorophenoxy)propanamide?
The InChIKey is BOANNAJHTQFDJP-NSHDSACASA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-11(21-15-8-3-2-7-14(15)17)16(20)19-13-6-4-5-12(9-13)10-18/h2-9,11H,1H3,(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-N-(3-cyanophenyl)-2-(2-fluorophenoxy)propanamide?
(2S)-N-(3-cyanophenyl)-2-(2-fluorophenoxy)propanamide has a molecular weight of 284.29 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-cyanophenyl)-2-(2-fluorophenoxy)propanamide is sourced from PubChem (CID 7815212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).