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

C12H13FN2O3 — CID 155541671

IUPAC2-(4-fluoroanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESO=C(CNc1ccc(F)cc1)N[C@H]1CCOC1=O
InChIInChI=1S/C12H13FN2O3/c13-8-1-3-9(4-2-8)14-7-11(16)15-10-5-6-18-12(10)17/h1-4,10,14H,5-7H2,(H,15,16)/t10-/m0/s1
InChIKeyNIKOSRVLCHFASV-JTQLQIEISA-N
MW252.24 g/mol
LogP0.67
Rot. Bonds4

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

2-(4-fluoroanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide (PubChem CID 155541671) has the molecular formula C12H13FN2O3 and a molecular weight of 252.24 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide
PubChem CID155541671
Molecular FormulaC12H13FN2O3
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name2-(4-fluoroanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESO=C(CNc1ccc(F)cc1)N[C@H]1CCOC1=O
InChIInChI=1S/C12H13FN2O3/c13-8-1-3-9(4-2-8)14-7-11(16)15-10-5-6-18-12(10)17/h1-4,10,14H,5-7H2,(H,15,16)/t10-/m0/s1
InChIKeyNIKOSRVLCHFASV-JTQLQIEISA-N
XLogP0.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The IUPAC name of 2-(4-fluoroanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide (CID 155541671) is 2-(4-fluoroanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide.
What is the SMILES notation for 2-(4-fluoroanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The canonical SMILES for 2-(4-fluoroanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide is O=C(CNc1ccc(F)cc1)N[C@H]1CCOC1=O.
What is the InChIKey of 2-(4-fluoroanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The InChIKey is NIKOSRVLCHFASV-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13FN2O3/c13-8-1-3-9(4-2-8)14-7-11(16)15-10-5-6-18-12(10)17/h1-4,10,14H,5-7H2,(H,15,16)/t10-/m0/s1.
What are the key properties of 2-(4-fluoroanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
2-(4-fluoroanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide has a molecular weight of 252.24 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide is sourced from PubChem (CID 155541671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).