3-bromo-2-(bromomethyl)-N-[(1R)-1-phenylethyl]propanamide

C12H15Br2NO — CID 129088961

IUPAC3-bromo-2-(bromomethyl)-N-[(1R)-1-phenylethyl]propanamide
SMILESC[C@@H](NC(=O)C(CBr)CBr)c1ccccc1
InChIInChI=1S/C12H15Br2NO/c1-9(10-5-3-2-4-6-10)15-12(16)11(7-13)8-14/h2-6,9,11H,7-8H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyQYXKBMCJYWBIIR-SECBINFHSA-N
MW349.07 g/mol
LogP3.27
Rot. Bonds5

About 3-bromo-2-(bromomethyl)-N-[(1R)-1-phenylethyl]propanamide

3-bromo-2-(bromomethyl)-N-[(1R)-1-phenylethyl]propanamide (PubChem CID 129088961) has the molecular formula C12H15Br2NO and a molecular weight of 349.07 g/mol. Its IUPAC name is 3-bromo-2-(bromomethyl)-N-[(1R)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name3-bromo-2-(bromomethyl)-N-[(1R)-1-phenylethyl]propanamide
PubChem CID129088961
Molecular FormulaC12H15Br2NO
Molecular Weight349.07 g/mol
Exact Mass346.95
IUPAC Name3-bromo-2-(bromomethyl)-N-[(1R)-1-phenylethyl]propanamide
SMILESC[C@@H](NC(=O)C(CBr)CBr)c1ccccc1
InChIInChI=1S/C12H15Br2NO/c1-9(10-5-3-2-4-6-10)15-12(16)11(7-13)8-14/h2-6,9,11H,7-8H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyQYXKBMCJYWBIIR-SECBINFHSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.07
LogP ≤ 53.27
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

2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide
CID 54419404
(2S)-2-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 92978612
(2S)-2-bromo-2-fluoro-N-[(1S)-1-phenylethyl]acetamide
CID 102438860
2-methyl-N-[(1R)-1-phenylethyl]-3-[[(1S)-1-phenylethyl]amino]propanamide
CID 102214409
2,3-dibromo-3-phenyl-N-(1-phenylethyl)propanamide
CID 2788217
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-phenylacetamide
CID 81359115
(2R)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10375743
2-(methylamino)-N-[(1R)-1-phenylethyl]propanamide
CID 78953244
(2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide
CID 131853954
(2S)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10330656

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(bromomethyl)-N-[(1R)-1-phenylethyl]propanamide?
The IUPAC name of 3-bromo-2-(bromomethyl)-N-[(1R)-1-phenylethyl]propanamide (CID 129088961) is 3-bromo-2-(bromomethyl)-N-[(1R)-1-phenylethyl]propanamide.
What is the SMILES notation for 3-bromo-2-(bromomethyl)-N-[(1R)-1-phenylethyl]propanamide?
The canonical SMILES for 3-bromo-2-(bromomethyl)-N-[(1R)-1-phenylethyl]propanamide is C[C@@H](NC(=O)C(CBr)CBr)c1ccccc1.
What is the InChIKey of 3-bromo-2-(bromomethyl)-N-[(1R)-1-phenylethyl]propanamide?
The InChIKey is QYXKBMCJYWBIIR-SECBINFHSA-N. The full InChI is InChI=1S/C12H15Br2NO/c1-9(10-5-3-2-4-6-10)15-12(16)11(7-13)8-14/h2-6,9,11H,7-8H2,1H3,(H,15,16)/t9-/m1/s1.
What are the key properties of 3-bromo-2-(bromomethyl)-N-[(1R)-1-phenylethyl]propanamide?
3-bromo-2-(bromomethyl)-N-[(1R)-1-phenylethyl]propanamide has a molecular weight of 349.07 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(bromomethyl)-N-[(1R)-1-phenylethyl]propanamide is sourced from PubChem (CID 129088961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).