2-bromo-N-[(1R)-1-phenylpropyl]propanamide

C12H16BrNO — CID 165438304

IUPAC2-bromo-N-[(1R)-1-phenylpropyl]propanamide
SMILESCC[C@@H](NC(=O)C(C)Br)c1ccccc1
InChIInChI=1S/C12H16BrNO/c1-3-11(14-12(15)9(2)13)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3,(H,14,15)/t9?,11-/m1/s1
InChIKeyQVUFNSGOYZEJSZ-HCCKASOXSA-N
MW270.17 g/mol
LogP3.04
Rot. Bonds4

About 2-bromo-N-[(1R)-1-phenylpropyl]propanamide

2-bromo-N-[(1R)-1-phenylpropyl]propanamide (PubChem CID 165438304) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-bromo-N-[(1R)-1-phenylpropyl]propanamide.

Molecular Properties

Compound Name2-bromo-N-[(1R)-1-phenylpropyl]propanamide
PubChem CID165438304
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-bromo-N-[(1R)-1-phenylpropyl]propanamide
SMILESCC[C@@H](NC(=O)C(C)Br)c1ccccc1
InChIInChI=1S/C12H16BrNO/c1-3-11(14-12(15)9(2)13)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3,(H,14,15)/t9?,11-/m1/s1
InChIKeyQVUFNSGOYZEJSZ-HCCKASOXSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.04
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-N-[2-(dimethylamino)-1-phenylethyl]propanamide
CID 107904840
(2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide
CID 165438311
2-amino-3-methyl-N-(1-phenylpropyl)pentanamide
CID 62305056
(2R)-2-cyano-N-[(1R)-1-phenylpropyl]propanamide
CID 94396295
3-amino-2-phenyl-N-(1-phenylpropyl)propanamide
CID 62878381
2-chloro-N-(1-phenylpropyl)pentanamide
CID 165438595
2-bromo-N-(1-thiophen-2-ylpropyl)propanamide
CID 82110517
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
2-acetamido-N-(1-phenylpropyl)-3-sulfanylpropanamide
CID 107769437
(2R)-2-amino-3-phenyl-N-(1-phenylpropyl)propanamide
CID 78988694
N'-[(1R)-2-methyl-1-phenylpropyl]-N-[(1R)-1-phenylpropyl]oxamide
CID 124846210
(2S)-2-(2-methylphenoxy)-N-[(1R)-1-phenylpropyl]propanamide
CID 93234565

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1R)-1-phenylpropyl]propanamide?
The IUPAC name of 2-bromo-N-[(1R)-1-phenylpropyl]propanamide (CID 165438304) is 2-bromo-N-[(1R)-1-phenylpropyl]propanamide.
What is the SMILES notation for 2-bromo-N-[(1R)-1-phenylpropyl]propanamide?
The canonical SMILES for 2-bromo-N-[(1R)-1-phenylpropyl]propanamide is CC[C@@H](NC(=O)C(C)Br)c1ccccc1.
What is the InChIKey of 2-bromo-N-[(1R)-1-phenylpropyl]propanamide?
The InChIKey is QVUFNSGOYZEJSZ-HCCKASOXSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-3-11(14-12(15)9(2)13)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3,(H,14,15)/t9?,11-/m1/s1.
What are the key properties of 2-bromo-N-[(1R)-1-phenylpropyl]propanamide?
2-bromo-N-[(1R)-1-phenylpropyl]propanamide has a molecular weight of 270.17 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1R)-1-phenylpropyl]propanamide is sourced from PubChem (CID 165438304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).