2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide

C13H16BrNO3 — CID 93083252

IUPAC2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
SMILESO=C(CBr)Nc1ccccc1OC[C@@H]1CCCO1
InChIInChI=1S/C13H16BrNO3/c14-8-13(16)15-11-5-1-2-6-12(11)18-9-10-4-3-7-17-10/h1-2,5-6,10H,3-4,7-9H2,(H,15,16)/t10-/m0/s1
InChIKeyAGGKSVJEGVKIDI-JTQLQIEISA-N
MW314.18 g/mol
LogP2.58
Rot. Bonds5

About 2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide

2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide (PubChem CID 93083252) has the molecular formula C13H16BrNO3 and a molecular weight of 314.18 g/mol. Its IUPAC name is 2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
PubChem CID93083252
Molecular FormulaC13H16BrNO3
Molecular Weight314.18 g/mol
Exact Mass313.03
IUPAC Name2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
SMILESO=C(CBr)Nc1ccccc1OC[C@@H]1CCCO1
InChIInChI=1S/C13H16BrNO3/c14-8-13(16)15-11-5-1-2-6-12(11)18-9-10-4-3-7-17-10/h1-2,5-6,10H,3-4,7-9H2,(H,15,16)/t10-/m0/s1
InChIKeyAGGKSVJEGVKIDI-JTQLQIEISA-N
XLogP2.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(diethylamino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54813459
2-amino-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide
CID 119302622
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
3-amino-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide;hydrochloride
CID 119302619
2-[cyclohexyl(methyl)amino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817408
2-(4-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54814177
2-(4-methoxyphenoxy)-N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 41386279
N-[2-(oxolan-2-ylmethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide
CID 54824189
2-(4-acetamidoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54809220
2-(3-bromoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54840337
4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17170162
4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide?
The IUPAC name of 2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide (CID 93083252) is 2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide.
What is the SMILES notation for 2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide?
The canonical SMILES for 2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide is O=C(CBr)Nc1ccccc1OC[C@@H]1CCCO1.
What is the InChIKey of 2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide?
The InChIKey is AGGKSVJEGVKIDI-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16BrNO3/c14-8-13(16)15-11-5-1-2-6-12(11)18-9-10-4-3-7-17-10/h1-2,5-6,10H,3-4,7-9H2,(H,15,16)/t10-/m0/s1.
What are the key properties of 2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide?
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide has a molecular weight of 314.18 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide is sourced from PubChem (CID 93083252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).