(2S)-2-bromo-N-(2-methoxyphenyl)butanamide

C11H14BrNO2 — CID 40932699

IUPAC(2S)-2-bromo-N-(2-methoxyphenyl)butanamide
SMILESCC[C@H](Br)C(=O)Nc1ccccc1OC
InChIInChI=1S/C11H14BrNO2/c1-3-8(12)11(14)13-9-6-4-5-7-10(9)15-2/h4-8H,3H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyCWSBSQMCZUTXON-QMMMGPOBSA-N
MW272.14 g/mol
LogP2.81
Rot. Bonds4

About (2S)-2-bromo-N-(2-methoxyphenyl)butanamide

(2S)-2-bromo-N-(2-methoxyphenyl)butanamide (PubChem CID 40932699) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is (2S)-2-bromo-N-(2-methoxyphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-bromo-N-(2-methoxyphenyl)butanamide
PubChem CID40932699
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name(2S)-2-bromo-N-(2-methoxyphenyl)butanamide
SMILESCC[C@H](Br)C(=O)Nc1ccccc1OC
InChIInChI=1S/C11H14BrNO2/c1-3-8(12)11(14)13-9-6-4-5-7-10(9)15-2/h4-8H,3H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyCWSBSQMCZUTXON-QMMMGPOBSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[2-(2-methylpropoxy)phenyl]butanamide
CID 55125784
(2R)-2-bromo-N-(2-methoxyphenyl)propanamide
CID 737002
methyl 2-[[(2S)-2-bromobutanoyl]amino]benzoate
CID 92864132
(2S)-2-ethyl-N-(2-methoxyphenyl)-3-oxobutanamide
CID 868013
N-(2-methoxyphenyl)-2-propylpentanamide
CID 2995533
1-butan-2-yl-3-(2-methoxyphenyl)urea
CID 19167871
2-bromo-N-(2-methoxy-3-pyridinyl)butanamide
CID 62854131
2-bromo-N-[2-(2-methoxyphenyl)ethyl]butanamide
CID 106260338
2-bromo-N-[1-(2-methoxyphenyl)propyl]butanamide
CID 62855577
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
2-(2-bromobutanoylamino)benzamide
CID 23323526
N-[2-(2-amino-2-oxoethyl)phenyl]-2-bromobutanamide
CID 62856321

Frequently Asked Questions

What is the IUPAC name of (2S)-2-bromo-N-(2-methoxyphenyl)butanamide?
The IUPAC name of (2S)-2-bromo-N-(2-methoxyphenyl)butanamide (CID 40932699) is (2S)-2-bromo-N-(2-methoxyphenyl)butanamide.
What is the SMILES notation for (2S)-2-bromo-N-(2-methoxyphenyl)butanamide?
The canonical SMILES for (2S)-2-bromo-N-(2-methoxyphenyl)butanamide is CC[C@H](Br)C(=O)Nc1ccccc1OC.
What is the InChIKey of (2S)-2-bromo-N-(2-methoxyphenyl)butanamide?
The InChIKey is CWSBSQMCZUTXON-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-3-8(12)11(14)13-9-6-4-5-7-10(9)15-2/h4-8H,3H2,1-2H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-bromo-N-(2-methoxyphenyl)butanamide?
(2S)-2-bromo-N-(2-methoxyphenyl)butanamide has a molecular weight of 272.14 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-bromo-N-(2-methoxyphenyl)butanamide is sourced from PubChem (CID 40932699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).