(2S)-2-amino-N-(2-cyano-4-fluorophenyl)-3-phenylpropanamide

C16H14FN3O — CID 82682946

IUPAC(2S)-2-amino-N-(2-cyano-4-fluorophenyl)-3-phenylpropanamide
SMILESN#Cc1cc(F)ccc1NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C16H14FN3O/c17-13-6-7-15(12(9-13)10-18)20-16(21)14(19)8-11-4-2-1-3-5-11/h1-7,9,14H,8,19H2,(H,20,21)/t14-/m0/s1
InChIKeyOYUKRULHBVTGRC-AWEZNQCLSA-N
MW283.31 g/mol
LogP2.21
Rot. Bonds4

About (2S)-2-amino-N-(2-cyano-4-fluorophenyl)-3-phenylpropanamide

(2S)-2-amino-N-(2-cyano-4-fluorophenyl)-3-phenylpropanamide (PubChem CID 82682946) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-cyano-4-fluorophenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-cyano-4-fluorophenyl)-3-phenylpropanamide
PubChem CID82682946
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name(2S)-2-amino-N-(2-cyano-4-fluorophenyl)-3-phenylpropanamide
SMILESN#Cc1cc(F)ccc1NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C16H14FN3O/c17-13-6-7-15(12(9-13)10-18)20-16(21)14(19)8-11-4-2-1-3-5-11/h1-7,9,14H,8,19H2,(H,20,21)/t14-/m0/s1
InChIKeyOYUKRULHBVTGRC-AWEZNQCLSA-N
XLogP2.21
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2,4-difluorophenyl)-3-phenylpropanamide
CID 24708745
2-amino-N-(2-amino-5-fluorophenyl)-3-phenylpropanamide
CID 110483797
(2R)-2-amino-N-(2-cyano-4-fluorophenyl)-4-methylsulfanylbutanamide
CID 104908920
N-(2-cyano-4-fluorophenyl)-4-phenylbutanamide
CID 79954684
(2S)-2-amino-N-(3-fluorophenyl)-3-phenylpropanamide
CID 22691298
2-amino-N-(3,5-difluorophenyl)-3-phenylpropanamide
CID 24703610
1-benzyl-3-(2-cyano-4-fluorophenyl)-1-methylurea
CID 78839682
2-amino-N-(3-cyanothiophen-2-yl)-3-phenylpropanamide
CID 61258574
N-(2-cyano-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309883
2-cyano-N-(2-cyano-4-fluorophenyl)butanamide
CID 82015517
(2S)-2-amino-N-(2,5-difluoro-4-methylphenyl)-3-phenylpropanamide
CID 103586069
(2S)-2-amino-N-(2,4-dibromophenyl)-3-phenylpropanamide
CID 61180359

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-cyano-4-fluorophenyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(2-cyano-4-fluorophenyl)-3-phenylpropanamide (CID 82682946) is (2S)-2-amino-N-(2-cyano-4-fluorophenyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-cyano-4-fluorophenyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(2-cyano-4-fluorophenyl)-3-phenylpropanamide is N#Cc1cc(F)ccc1NC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(2-cyano-4-fluorophenyl)-3-phenylpropanamide?
The InChIKey is OYUKRULHBVTGRC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-13-6-7-15(12(9-13)10-18)20-16(21)14(19)8-11-4-2-1-3-5-11/h1-7,9,14H,8,19H2,(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-cyano-4-fluorophenyl)-3-phenylpropanamide?
(2S)-2-amino-N-(2-cyano-4-fluorophenyl)-3-phenylpropanamide has a molecular weight of 283.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-cyano-4-fluorophenyl)-3-phenylpropanamide is sourced from PubChem (CID 82682946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).