(2S)-2-amino-N-(4-bromo-3,5-dimethylphenyl)propanamide

C11H15BrN2O — CID 107574322

IUPAC(2S)-2-amino-N-(4-bromo-3,5-dimethylphenyl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)N)cc(C)c1Br
InChIInChI=1S/C11H15BrN2O/c1-6-4-9(5-7(2)10(6)12)14-11(15)8(3)13/h4-5,8H,13H2,1-3H3,(H,14,15)/t8-/m0/s1
InChIKeyHGXUPKNDCPWLDJ-QMMMGPOBSA-N
MW271.16 g/mol
LogP2.35
Rot. Bonds2

About (2S)-2-amino-N-(4-bromo-3,5-dimethylphenyl)propanamide

(2S)-2-amino-N-(4-bromo-3,5-dimethylphenyl)propanamide (PubChem CID 107574322) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-bromo-3,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-bromo-3,5-dimethylphenyl)propanamide
PubChem CID107574322
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name(2S)-2-amino-N-(4-bromo-3,5-dimethylphenyl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)N)cc(C)c1Br
InChIInChI=1S/C11H15BrN2O/c1-6-4-9(5-7(2)10(6)12)14-11(15)8(3)13/h4-5,8H,13H2,1-3H3,(H,14,15)/t8-/m0/s1
InChIKeyHGXUPKNDCPWLDJ-QMMMGPOBSA-N
XLogP2.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)propanamide
CID 107574214
2-amino-N-(3-bromo-4-methylphenyl)propanamide
CID 63334898
(2R)-2-amino-N-(3-fluoro-5-methylphenyl)propanamide
CID 79050426
(2S)-2-amino-N-(3-fluoro-5-methylphenyl)propanamide
CID 79049472
2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-methoxybutanamide
CID 107574238
(2S)-2-amino-N-[2-(4-bromo-3,5-dimethylanilino)-2-oxoethyl]-3-methylbutanamide
CID 107574189
2-amino-N-(2,6-dimethyl-4-pyridinyl)propanamide;hydrochloride
CID 130978046
N-(4-bromo-3,5-dimethylphenyl)-2-propylpentanamide
CID 107575057
(2S)-2-amino-N-(4-fluoro-3-methylphenyl)propanamide
CID 62813030
2-amino-N-(4-bromo-3,5-dimethylphenyl)acetamide
CID 107574130
3-amino-N-(4-bromo-3,5-dimethylphenyl)pentanamide
CID 107574314
2-amino-N-(4-bromo-3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 107574153

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-bromo-3,5-dimethylphenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(4-bromo-3,5-dimethylphenyl)propanamide (CID 107574322) is (2S)-2-amino-N-(4-bromo-3,5-dimethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-bromo-3,5-dimethylphenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(4-bromo-3,5-dimethylphenyl)propanamide is Cc1cc(NC(=O)[C@H](C)N)cc(C)c1Br.
What is the InChIKey of (2S)-2-amino-N-(4-bromo-3,5-dimethylphenyl)propanamide?
The InChIKey is HGXUPKNDCPWLDJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-6-4-9(5-7(2)10(6)12)14-11(15)8(3)13/h4-5,8H,13H2,1-3H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-bromo-3,5-dimethylphenyl)propanamide?
(2S)-2-amino-N-(4-bromo-3,5-dimethylphenyl)propanamide has a molecular weight of 271.16 g/mol, XLogP of 2.35, 2 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-3,5-dimethylphenyl)propanamide is sourced from PubChem (CID 107574322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).