2,6-difluoro-N-(2-oxoazepan-4-yl)benzamide

C13H14F2N2O2 — CID 19090381

IUPAC2,6-difluoro-N-(2-oxoazepan-4-yl)benzamide
SMILESO=C1CC(NC(=O)c2c(F)cccc2F)CCCN1
InChIInChI=1S/C13H14F2N2O2/c14-9-4-1-5-10(15)12(9)13(19)17-8-3-2-6-16-11(18)7-8/h1,4-5,8H,2-3,6-7H2,(H,16,18)(H,17,19)
InChIKeyITDGAZPUZMIPGM-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.36
Rot. Bonds2

About 2,6-difluoro-N-(2-oxoazepan-4-yl)benzamide

2,6-difluoro-N-(2-oxoazepan-4-yl)benzamide (PubChem CID 19090381) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is 2,6-difluoro-N-(2-oxoazepan-4-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(2-oxoazepan-4-yl)benzamide
PubChem CID19090381
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name2,6-difluoro-N-(2-oxoazepan-4-yl)benzamide
SMILESO=C1CC(NC(=O)c2c(F)cccc2F)CCCN1
InChIInChI=1S/C13H14F2N2O2/c14-9-4-1-5-10(15)12(9)13(19)17-8-3-2-6-16-11(18)7-8/h1,4-5,8H,2-3,6-7H2,(H,16,18)(H,17,19)
InChIKeyITDGAZPUZMIPGM-UHFFFAOYSA-N
XLogP1.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(2-oxoazepan-4-yl)benzamide?
The IUPAC name of 2,6-difluoro-N-(2-oxoazepan-4-yl)benzamide (CID 19090381) is 2,6-difluoro-N-(2-oxoazepan-4-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(2-oxoazepan-4-yl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(2-oxoazepan-4-yl)benzamide is O=C1CC(NC(=O)c2c(F)cccc2F)CCCN1.
What is the InChIKey of 2,6-difluoro-N-(2-oxoazepan-4-yl)benzamide?
The InChIKey is ITDGAZPUZMIPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c14-9-4-1-5-10(15)12(9)13(19)17-8-3-2-6-16-11(18)7-8/h1,4-5,8H,2-3,6-7H2,(H,16,18)(H,17,19).
What are the key properties of 2,6-difluoro-N-(2-oxoazepan-4-yl)benzamide?
2,6-difluoro-N-(2-oxoazepan-4-yl)benzamide has a molecular weight of 268.26 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(2-oxoazepan-4-yl)benzamide is sourced from PubChem (CID 19090381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).