(2S)-2-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-phenylpropanamide

C16H16BrFN2O — CID 104877710

IUPAC(2S)-2-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-phenylpropanamide
SMILESCc1cc(Br)c(F)cc1NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C16H16BrFN2O/c1-10-7-12(17)13(18)9-15(10)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
InChIKeyVCFCQMBBDLDMNN-AWEZNQCLSA-N
MW351.22 g/mol
LogP3.41
Rot. Bonds4

About (2S)-2-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-phenylpropanamide

(2S)-2-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-phenylpropanamide (PubChem CID 104877710) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-phenylpropanamide
PubChem CID104877710
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC Name(2S)-2-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-phenylpropanamide
SMILESCc1cc(Br)c(F)cc1NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C16H16BrFN2O/c1-10-7-12(17)13(18)9-15(10)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
InChIKeyVCFCQMBBDLDMNN-AWEZNQCLSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-5-fluoro-2-methylphenyl)-3-phenyl-2-sulfanylpropanamide
CID 107036110
(2S)-2-amino-N-(2,5-difluoro-4-methylphenyl)-3-phenylpropanamide
CID 103586069
(2S)-2-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-2-phenylacetamide
CID 104898467
2-amino-N-(2,4-difluorophenyl)-3-phenylpropanamide
CID 24708745
(2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide
CID 22691205
(2S)-2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylacetamide
CID 107592317
(2S)-2-amino-N-(4-hydroxy-2-methylphenyl)-3-phenylpropanamide
CID 78995809
2-amino-N-(3-bromo-4-methylphenyl)-3-phenylpropanamide
CID 63334484
(2R)-2-amino-N-(4-fluoro-3-methylphenyl)-3-phenylpropanamide
CID 78917568
(2S)-2-amino-N-(3-bromo-4-methylphenyl)-3-phenylpropanamide
CID 22691230
(2S)-2-amino-N-(4-bromo-3-methylphenyl)-3-phenylpropanamide
CID 22691303
2-amino-N-(2-bromo-5-chlorophenyl)-3-phenylpropanamide
CID 81270389

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-phenylpropanamide (CID 104877710) is (2S)-2-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-phenylpropanamide is Cc1cc(Br)c(F)cc1NC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-phenylpropanamide?
The InChIKey is VCFCQMBBDLDMNN-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H16BrFN2O/c1-10-7-12(17)13(18)9-15(10)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-(4-bromo-5-fluoro-2-methylphenyl)-3-phenylpropanamide?
(2S)-2-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-phenylpropanamide has a molecular weight of 351.22 g/mol, XLogP of 3.41, 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-(4-bromo-5-fluoro-2-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 104877710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).