(2S)-2-bromo-3-phenylpropanamide

C9H10BrNO — CID 71482600

IUPAC(2S)-2-bromo-3-phenylpropanamide
SMILESNC(=O)[C@@H](Br)Cc1ccccc1
InChIInChI=1S/C9H10BrNO/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,12)/t8-/m0/s1
InChIKeyBJESFDVRFIKQGR-QMMMGPOBSA-N
MW228.09 g/mol
LogP1.48
Rot. Bonds3

About (2S)-2-bromo-3-phenylpropanamide

(2S)-2-bromo-3-phenylpropanamide (PubChem CID 71482600) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is (2S)-2-bromo-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-bromo-3-phenylpropanamide
PubChem CID71482600
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name(2S)-2-bromo-3-phenylpropanamide
SMILESNC(=O)[C@@H](Br)Cc1ccccc1
InChIInChI=1S/C9H10BrNO/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,12)/t8-/m0/s1
InChIKeyBJESFDVRFIKQGR-QMMMGPOBSA-N
XLogP1.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-3-phenylpropanamide
CID 22238787
2-bromo-3-(3-bromophenyl)propanamide
CID 104512986
2-bromo-3-phenylpropanethioamide
CID 142775087
(2S)-2-bromo-3-phenylpropanoyl chloride
CID 87208582
2-bromo-3-(3-fluorophenyl)propanamide
CID 104512961
(3R)-2,3-dimethyl-4-phenylbutanamide
CID 140571501
(2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide
CID 57194593
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
2-acetamido-3-phenylpropanamide;ethane
CID 144643683
(3-bromo-4-phenylbutyl) carbamate
CID 174694654
(1R)-1-bromo-2-phenylethanamine
CID 164702405

Frequently Asked Questions

What is the IUPAC name of (2S)-2-bromo-3-phenylpropanamide?
The IUPAC name of (2S)-2-bromo-3-phenylpropanamide (CID 71482600) is (2S)-2-bromo-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-bromo-3-phenylpropanamide?
The canonical SMILES for (2S)-2-bromo-3-phenylpropanamide is NC(=O)[C@@H](Br)Cc1ccccc1.
What is the InChIKey of (2S)-2-bromo-3-phenylpropanamide?
The InChIKey is BJESFDVRFIKQGR-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10BrNO/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,12)/t8-/m0/s1.
What are the key properties of (2S)-2-bromo-3-phenylpropanamide?
(2S)-2-bromo-3-phenylpropanamide has a molecular weight of 228.09 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-bromo-3-phenylpropanamide is sourced from PubChem (CID 71482600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).