2-fluoro-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide

C17H16FNO3 — CID 847846

IUPAC2-fluoro-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide
SMILESCCCc1cc2c(cc1NC(=O)c1ccccc1F)OCO2
InChIInChI=1S/C17H16FNO3/c1-2-5-11-8-15-16(22-10-21-15)9-14(11)19-17(20)12-6-3-4-7-13(12)18/h3-4,6-9H,2,5,10H2,1H3,(H,19,20)
InChIKeyUBKLDOYUBNDZLB-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.76
Rot. Bonds4

About 2-fluoro-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide

2-fluoro-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide (PubChem CID 847846) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-fluoro-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide
PubChem CID847846
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Name2-fluoro-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide
SMILESCCCc1cc2c(cc1NC(=O)c1ccccc1F)OCO2
InChIInChI=1S/C17H16FNO3/c1-2-5-11-8-15-16(22-10-21-15)9-14(11)19-17(20)12-6-3-4-7-13(12)18/h3-4,6-9H,2,5,10H2,1H3,(H,19,20)
InChIKeyUBKLDOYUBNDZLB-UHFFFAOYSA-N
XLogP3.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide?
The IUPAC name of 2-fluoro-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide (CID 847846) is 2-fluoro-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide is CCCc1cc2c(cc1NC(=O)c1ccccc1F)OCO2.
What is the InChIKey of 2-fluoro-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide?
The InChIKey is UBKLDOYUBNDZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-2-5-11-8-15-16(22-10-21-15)9-14(11)19-17(20)12-6-3-4-7-13(12)18/h3-4,6-9H,2,5,10H2,1H3,(H,19,20).
What are the key properties of 2-fluoro-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide?
2-fluoro-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide has a molecular weight of 301.32 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide is sourced from PubChem (CID 847846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).