(2R)-2-amino-N-(4-fluoro-3-methylphenyl)-3-phenylpropanamide

C16H17FN2O — CID 78917568

IUPAC(2R)-2-amino-N-(4-fluoro-3-methylphenyl)-3-phenylpropanamide
SMILESCc1cc(NC(=O)[C@H](N)Cc2ccccc2)ccc1F
InChIInChI=1S/C16H17FN2O/c1-11-9-13(7-8-14(11)17)19-16(20)15(18)10-12-5-3-2-4-6-12/h2-9,15H,10,18H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyRYOJWKZLPDEIFR-OAHLLOKOSA-N
MW272.32 g/mol
LogP2.64
Rot. Bonds4

About (2R)-2-amino-N-(4-fluoro-3-methylphenyl)-3-phenylpropanamide

(2R)-2-amino-N-(4-fluoro-3-methylphenyl)-3-phenylpropanamide (PubChem CID 78917568) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is (2R)-2-amino-N-(4-fluoro-3-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(4-fluoro-3-methylphenyl)-3-phenylpropanamide
PubChem CID78917568
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name(2R)-2-amino-N-(4-fluoro-3-methylphenyl)-3-phenylpropanamide
SMILESCc1cc(NC(=O)[C@H](N)Cc2ccccc2)ccc1F
InChIInChI=1S/C16H17FN2O/c1-11-9-13(7-8-14(11)17)19-16(20)15(18)10-12-5-3-2-4-6-12/h2-9,15H,10,18H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyRYOJWKZLPDEIFR-OAHLLOKOSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(4-bromo-3-methylphenyl)-3-phenylpropanamide
CID 22691303
(2S)-2-amino-N-(3-bromo-4-methylphenyl)-3-phenylpropanamide
CID 22691230
2-amino-N-(3-bromo-4-methylphenyl)-3-phenylpropanamide
CID 63334484
(2R)-2-amino-N-(3-iodo-4-methylphenyl)-3-phenylpropanamide
CID 78985668
(2S)-2-amino-N-(2,5-difluoro-4-methylphenyl)-3-phenylpropanamide
CID 103586069
(2S)-2-amino-N-(3-fluorophenyl)-3-phenylpropanamide
CID 22691298
(2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide
CID 22691206
2-amino-N-(4-fluoro-3-methylphenyl)-2-phenylacetamide
CID 55118745
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
2-amino-N-(3,5-difluorophenyl)-3-phenylpropanamide
CID 24703610
2-amino-N-naphthalen-2-yl-3-phenylpropanamide
CID 577793
(2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide
CID 28976654

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(4-fluoro-3-methylphenyl)-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-(4-fluoro-3-methylphenyl)-3-phenylpropanamide (CID 78917568) is (2R)-2-amino-N-(4-fluoro-3-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-(4-fluoro-3-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-(4-fluoro-3-methylphenyl)-3-phenylpropanamide is Cc1cc(NC(=O)[C@H](N)Cc2ccccc2)ccc1F.
What is the InChIKey of (2R)-2-amino-N-(4-fluoro-3-methylphenyl)-3-phenylpropanamide?
The InChIKey is RYOJWKZLPDEIFR-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11-9-13(7-8-14(11)17)19-16(20)15(18)10-12-5-3-2-4-6-12/h2-9,15H,10,18H2,1H3,(H,19,20)/t15-/m1/s1.
What are the key properties of (2R)-2-amino-N-(4-fluoro-3-methylphenyl)-3-phenylpropanamide?
(2R)-2-amino-N-(4-fluoro-3-methylphenyl)-3-phenylpropanamide has a molecular weight of 272.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(4-fluoro-3-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 78917568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).