(2S)-2-amino-N-(2,5-difluoro-4-methylphenyl)-3-phenylpropanamide

C16H16F2N2O — CID 103586069

IUPAC(2S)-2-amino-N-(2,5-difluoro-4-methylphenyl)-3-phenylpropanamide
SMILESCc1cc(F)c(NC(=O)[C@@H](N)Cc2ccccc2)cc1F
InChIInChI=1S/C16H16F2N2O/c1-10-7-13(18)15(9-12(10)17)20-16(21)14(19)8-11-5-3-2-4-6-11/h2-7,9,14H,8,19H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyWADQPMQFNXGJDD-AWEZNQCLSA-N
MW290.31 g/mol
LogP2.78
Rot. Bonds4

About (2S)-2-amino-N-(2,5-difluoro-4-methylphenyl)-3-phenylpropanamide

(2S)-2-amino-N-(2,5-difluoro-4-methylphenyl)-3-phenylpropanamide (PubChem CID 103586069) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,5-difluoro-4-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,5-difluoro-4-methylphenyl)-3-phenylpropanamide
PubChem CID103586069
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name(2S)-2-amino-N-(2,5-difluoro-4-methylphenyl)-3-phenylpropanamide
SMILESCc1cc(F)c(NC(=O)[C@@H](N)Cc2ccccc2)cc1F
InChIInChI=1S/C16H16F2N2O/c1-10-7-13(18)15(9-12(10)17)20-16(21)14(19)8-11-5-3-2-4-6-11/h2-7,9,14H,8,19H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyWADQPMQFNXGJDD-AWEZNQCLSA-N
XLogP2.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 104877710
(2R)-2-amino-N-(4-fluoro-3-methylphenyl)-3-phenylpropanamide
CID 78917568
2-amino-N-(2,4-difluorophenyl)-3-phenylpropanamide
CID 24708745
(2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide
CID 22691205
2-amino-N-(4-iodo-2-methylphenyl)-3-phenylpropanamide
CID 43708097
(2S)-2-amino-N-(4-hydroxy-2-methylphenyl)-3-phenylpropanamide
CID 78995809
2-amino-N-(2,5-difluoro-4-methylphenyl)-4-methylsulfonylbutanamide
CID 103586036
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide
CID 79602874
(2S)-2-amino-N-(2-methyl-3-pyridinyl)-3-phenylpropanamide
CID 54173969
2-amino-N-(2-amino-5-fluorophenyl)-3-phenylpropanamide
CID 110483797
2-amino-N-(2-chloro-4-methylphenyl)-3-phenylpropanamide
CID 43122671
2-amino-N-(3,5-difluorophenyl)-3-phenylpropanamide
CID 24703610

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,5-difluoro-4-methylphenyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(2,5-difluoro-4-methylphenyl)-3-phenylpropanamide (CID 103586069) is (2S)-2-amino-N-(2,5-difluoro-4-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,5-difluoro-4-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(2,5-difluoro-4-methylphenyl)-3-phenylpropanamide is Cc1cc(F)c(NC(=O)[C@@H](N)Cc2ccccc2)cc1F.
What is the InChIKey of (2S)-2-amino-N-(2,5-difluoro-4-methylphenyl)-3-phenylpropanamide?
The InChIKey is WADQPMQFNXGJDD-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-10-7-13(18)15(9-12(10)17)20-16(21)14(19)8-11-5-3-2-4-6-11/h2-7,9,14H,8,19H2,1H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,5-difluoro-4-methylphenyl)-3-phenylpropanamide?
(2S)-2-amino-N-(2,5-difluoro-4-methylphenyl)-3-phenylpropanamide has a molecular weight of 290.31 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,5-difluoro-4-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 103586069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).