2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide

C14H18F2N2O — CID 143222297

IUPAC2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide
SMILESNC(=O)CN1CCCCC(c2cccc(F)c2F)C1
InChIInChI=1S/C14H18F2N2O/c15-12-6-3-5-11(14(12)16)10-4-1-2-7-18(8-10)9-13(17)19/h3,5-6,10H,1-2,4,7-9H2,(H2,17,19)
InChIKeyHKWFKTAKGPSQQF-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.02
Rot. Bonds3

About 2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide

2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide (PubChem CID 143222297) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide
PubChem CID143222297
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide
SMILESNC(=O)CN1CCCCC(c2cccc(F)c2F)C1
InChIInChI=1S/C14H18F2N2O/c15-12-6-3-5-11(14(12)16)10-4-1-2-7-18(8-10)9-13(17)19/h3,5-6,10H,1-2,4,7-9H2,(H2,17,19)
InChIKeyHKWFKTAKGPSQQF-UHFFFAOYSA-N
XLogP2.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide?
The IUPAC name of 2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide (CID 143222297) is 2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide.
What is the SMILES notation for 2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide?
The canonical SMILES for 2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide is NC(=O)CN1CCCCC(c2cccc(F)c2F)C1.
What is the InChIKey of 2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide?
The InChIKey is HKWFKTAKGPSQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c15-12-6-3-5-11(14(12)16)10-4-1-2-7-18(8-10)9-13(17)19/h3,5-6,10H,1-2,4,7-9H2,(H2,17,19).
What are the key properties of 2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide?
2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide has a molecular weight of 268.31 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 2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide is sourced from PubChem (CID 143222297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).