2-fluoro-5-(oxepan-4-ylamino)benzamide

C13H17FN2O2 — CID 65082139

IUPAC2-fluoro-5-(oxepan-4-ylamino)benzamide
SMILESNC(=O)c1cc(NC2CCCOCC2)ccc1F
InChIInChI=1S/C13H17FN2O2/c14-12-4-3-10(8-11(12)13(15)17)16-9-2-1-6-18-7-5-9/h3-4,8-9,16H,1-2,5-7H2,(H2,15,17)
InChIKeyYOPLJQJNYIXEFE-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.91
Rot. Bonds3

About 2-fluoro-5-(oxepan-4-ylamino)benzamide

2-fluoro-5-(oxepan-4-ylamino)benzamide (PubChem CID 65082139) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-fluoro-5-(oxepan-4-ylamino)benzamide.

Molecular Properties

Compound Name2-fluoro-5-(oxepan-4-ylamino)benzamide
PubChem CID65082139
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name2-fluoro-5-(oxepan-4-ylamino)benzamide
SMILESNC(=O)c1cc(NC2CCCOCC2)ccc1F
InChIInChI=1S/C13H17FN2O2/c14-12-4-3-10(8-11(12)13(15)17)16-9-2-1-6-18-7-5-9/h3-4,8-9,16H,1-2,5-7H2,(H2,15,17)
InChIKeyYOPLJQJNYIXEFE-UHFFFAOYSA-N
XLogP1.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(oxepan-4-ylamino)benzamide?
The IUPAC name of 2-fluoro-5-(oxepan-4-ylamino)benzamide (CID 65082139) is 2-fluoro-5-(oxepan-4-ylamino)benzamide.
What is the SMILES notation for 2-fluoro-5-(oxepan-4-ylamino)benzamide?
The canonical SMILES for 2-fluoro-5-(oxepan-4-ylamino)benzamide is NC(=O)c1cc(NC2CCCOCC2)ccc1F.
What is the InChIKey of 2-fluoro-5-(oxepan-4-ylamino)benzamide?
The InChIKey is YOPLJQJNYIXEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-12-4-3-10(8-11(12)13(15)17)16-9-2-1-6-18-7-5-9/h3-4,8-9,16H,1-2,5-7H2,(H2,15,17).
What are the key properties of 2-fluoro-5-(oxepan-4-ylamino)benzamide?
2-fluoro-5-(oxepan-4-ylamino)benzamide has a molecular weight of 252.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(oxepan-4-ylamino)benzamide is sourced from PubChem (CID 65082139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).