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

C15H14BrFN2O — CID 107592317

IUPAC(2S)-2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylacetamide
SMILESCc1cc(F)c(Br)cc1NC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C15H14BrFN2O/c1-9-7-12(17)11(16)8-13(9)19-15(20)14(18)10-5-3-2-4-6-10/h2-8,14H,18H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyKACWPPJEZVSOLU-AWEZNQCLSA-N
MW337.19 g/mol
LogP3.54
Rot. Bonds3

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

(2S)-2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylacetamide (PubChem CID 107592317) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylacetamide
PubChem CID107592317
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name(2S)-2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylacetamide
SMILESCc1cc(F)c(Br)cc1NC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C15H14BrFN2O/c1-9-7-12(17)11(16)8-13(9)19-15(20)14(18)10-5-3-2-4-6-10/h2-8,14H,18H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyKACWPPJEZVSOLU-AWEZNQCLSA-N
XLogP3.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-2-phenylacetamide
CID 104898467
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(4-methylphenyl)acetamide
CID 106312877
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide
CID 107592265
(2S)-2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide
CID 107592355
(2S)-2-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 104877710
(2R)-2-amino-N-(3-bromo-4-fluorophenyl)-2-phenylacetamide
CID 103794894
2-amino-N-(4-fluoro-3-methylphenyl)-2-phenylacetamide
CID 55118745
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methylbutanamide
CID 107591742
N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
CID 103274665
2-amino-N-(4-bromo-3-methylphenyl)-2-phenylacetamide
CID 24709561
N-(4-bromo-5-fluoro-2-methylphenyl)-3-phenyl-2-sulfanylpropanamide
CID 107036110
2-amino-N-(2,3-difluorophenyl)-2-phenylacetamide
CID 61077017

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylacetamide (CID 107592317) is (2S)-2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylacetamide is Cc1cc(F)c(Br)cc1NC(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylacetamide?
The InChIKey is KACWPPJEZVSOLU-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-9-7-12(17)11(16)8-13(9)19-15(20)14(18)10-5-3-2-4-6-10/h2-8,14H,18H2,1H3,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylacetamide?
(2S)-2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylacetamide has a molecular weight of 337.19 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylacetamide is sourced from PubChem (CID 107592317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).