2-(4-bromophenoxy)-N-[(3S)-2-oxooxolan-3-yl]acetamide

C12H12BrNO4 — CID 44581696

IUPAC2-(4-bromophenoxy)-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESO=C(COc1ccc(Br)cc1)N[C@H]1CCOC1=O
InChIInChI=1S/C12H12BrNO4/c13-8-1-3-9(4-2-8)18-7-11(15)14-10-5-6-17-12(10)16/h1-4,10H,5-7H2,(H,14,15)/t10-/m0/s1
InChIKeyPCRDLUUMELEJPB-JTQLQIEISA-N
MW314.13 g/mol
LogP1.26
Rot. Bonds4

About 2-(4-bromophenoxy)-N-[(3S)-2-oxooxolan-3-yl]acetamide

2-(4-bromophenoxy)-N-[(3S)-2-oxooxolan-3-yl]acetamide (PubChem CID 44581696) has the molecular formula C12H12BrNO4 and a molecular weight of 314.13 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(3S)-2-oxooxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(3S)-2-oxooxolan-3-yl]acetamide
PubChem CID44581696
Molecular FormulaC12H12BrNO4
Molecular Weight314.13 g/mol
Exact Mass312.99
IUPAC Name2-(4-bromophenoxy)-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESO=C(COc1ccc(Br)cc1)N[C@H]1CCOC1=O
InChIInChI=1S/C12H12BrNO4/c13-8-1-3-9(4-2-8)18-7-11(15)14-10-5-6-17-12(10)16/h1-4,10H,5-7H2,(H,14,15)/t10-/m0/s1
InChIKeyPCRDLUUMELEJPB-JTQLQIEISA-N
XLogP1.26
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(3S)-2-oxooxolan-3-yl]acetamide (CID 44581696) is 2-(4-bromophenoxy)-N-[(3S)-2-oxooxolan-3-yl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(3S)-2-oxooxolan-3-yl]acetamide is O=C(COc1ccc(Br)cc1)N[C@H]1CCOC1=O.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The InChIKey is PCRDLUUMELEJPB-JTQLQIEISA-N. The full InChI is InChI=1S/C12H12BrNO4/c13-8-1-3-9(4-2-8)18-7-11(15)14-10-5-6-17-12(10)16/h1-4,10H,5-7H2,(H,14,15)/t10-/m0/s1.
What are the key properties of 2-(4-bromophenoxy)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
2-(4-bromophenoxy)-N-[(3S)-2-oxooxolan-3-yl]acetamide has a molecular weight of 314.13 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(3S)-2-oxooxolan-3-yl]acetamide is sourced from PubChem (CID 44581696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).