2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide

C17H18FNO2S — CID 30943600

IUPAC2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(c2cccs2)CCOCC1)c1ccccc1F
InChIInChI=1S/C17H18FNO2S/c18-14-5-2-1-4-13(14)16(20)19-12-17(7-9-21-10-8-17)15-6-3-11-22-15/h1-6,11H,7-10,12H2,(H,19,20)
InChIKeyKCPYDWDRMVKLMG-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.37
Rot. Bonds4

About 2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide

2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide (PubChem CID 30943600) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
PubChem CID30943600
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(c2cccs2)CCOCC1)c1ccccc1F
InChIInChI=1S/C17H18FNO2S/c18-14-5-2-1-4-13(14)16(20)19-12-17(7-9-21-10-8-17)15-6-3-11-22-15/h1-6,11H,7-10,12H2,(H,19,20)
InChIKeyKCPYDWDRMVKLMG-UHFFFAOYSA-N
XLogP3.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide (CID 30943600) is 2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide is O=C(NCC1(c2cccs2)CCOCC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide?
The InChIKey is KCPYDWDRMVKLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S/c18-14-5-2-1-4-13(14)16(20)19-12-17(7-9-21-10-8-17)15-6-3-11-22-15/h1-6,11H,7-10,12H2,(H,19,20).
What are the key properties of 2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide?
2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide has a molecular weight of 319.40 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide is sourced from PubChem (CID 30943600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).