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

C12H12Cl2N2O3 — CID 155515199

IUPAC2-(2,4-dichloroanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESO=C(CNc1ccc(Cl)cc1Cl)N[C@H]1CCOC1=O
InChIInChI=1S/C12H12Cl2N2O3/c13-7-1-2-9(8(14)5-7)15-6-11(17)16-10-3-4-19-12(10)18/h1-2,5,10,15H,3-4,6H2,(H,16,17)/t10-/m0/s1
InChIKeySTIYIKWAGRVWCI-JTQLQIEISA-N
MW303.14 g/mol
LogP1.84
Rot. Bonds4

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

2-(2,4-dichloroanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide (PubChem CID 155515199) has the molecular formula C12H12Cl2N2O3 and a molecular weight of 303.14 g/mol. Its IUPAC name is 2-(2,4-dichloroanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichloroanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide
PubChem CID155515199
Molecular FormulaC12H12Cl2N2O3
Molecular Weight303.14 g/mol
Exact Mass302.02
IUPAC Name2-(2,4-dichloroanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESO=C(CNc1ccc(Cl)cc1Cl)N[C@H]1CCOC1=O
InChIInChI=1S/C12H12Cl2N2O3/c13-7-1-2-9(8(14)5-7)15-6-11(17)16-10-3-4-19-12(10)18/h1-2,5,10,15H,3-4,6H2,(H,16,17)/t10-/m0/s1
InChIKeySTIYIKWAGRVWCI-JTQLQIEISA-N
XLogP1.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloroanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The IUPAC name of 2-(2,4-dichloroanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide (CID 155515199) is 2-(2,4-dichloroanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide.
What is the SMILES notation for 2-(2,4-dichloroanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The canonical SMILES for 2-(2,4-dichloroanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide is O=C(CNc1ccc(Cl)cc1Cl)N[C@H]1CCOC1=O.
What is the InChIKey of 2-(2,4-dichloroanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The InChIKey is STIYIKWAGRVWCI-JTQLQIEISA-N. The full InChI is InChI=1S/C12H12Cl2N2O3/c13-7-1-2-9(8(14)5-7)15-6-11(17)16-10-3-4-19-12(10)18/h1-2,5,10,15H,3-4,6H2,(H,16,17)/t10-/m0/s1.
What are the key properties of 2-(2,4-dichloroanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
2-(2,4-dichloroanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide has a molecular weight of 303.14 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloroanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide is sourced from PubChem (CID 155515199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).