4-(3-fluorooxetan-3-yl)-N-propan-2-ylbenzamide

C13H16FNO2 — CID 170761926

IUPAC4-(3-fluorooxetan-3-yl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(C2(F)COC2)cc1
InChIInChI=1S/C13H16FNO2/c1-9(2)15-12(16)10-3-5-11(6-4-10)13(14)7-17-8-13/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChIKeyOATLAOJPMTXLLP-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.02
Rot. Bonds3

About 4-(3-fluorooxetan-3-yl)-N-propan-2-ylbenzamide

4-(3-fluorooxetan-3-yl)-N-propan-2-ylbenzamide (PubChem CID 170761926) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 4-(3-fluorooxetan-3-yl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(3-fluorooxetan-3-yl)-N-propan-2-ylbenzamide
PubChem CID170761926
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name4-(3-fluorooxetan-3-yl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(C2(F)COC2)cc1
InChIInChI=1S/C13H16FNO2/c1-9(2)15-12(16)10-3-5-11(6-4-10)13(14)7-17-8-13/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChIKeyOATLAOJPMTXLLP-UHFFFAOYSA-N
XLogP2.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorooxetan-3-yl)-N-propan-2-ylbenzamide?
The IUPAC name of 4-(3-fluorooxetan-3-yl)-N-propan-2-ylbenzamide (CID 170761926) is 4-(3-fluorooxetan-3-yl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(3-fluorooxetan-3-yl)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(3-fluorooxetan-3-yl)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(C2(F)COC2)cc1.
What is the InChIKey of 4-(3-fluorooxetan-3-yl)-N-propan-2-ylbenzamide?
The InChIKey is OATLAOJPMTXLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-9(2)15-12(16)10-3-5-11(6-4-10)13(14)7-17-8-13/h3-6,9H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 4-(3-fluorooxetan-3-yl)-N-propan-2-ylbenzamide?
4-(3-fluorooxetan-3-yl)-N-propan-2-ylbenzamide has a molecular weight of 237.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorooxetan-3-yl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 170761926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).