2-(azepan-1-yl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]propanamide

C17H24F2N2O2 — CID 111478283

IUPAC2-(azepan-1-yl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]propanamide
SMILESCC(C(=O)NCC(O)c1c(F)cccc1F)N1CCCCCC1
InChIInChI=1S/C17H24F2N2O2/c1-12(21-9-4-2-3-5-10-21)17(23)20-11-15(22)16-13(18)7-6-8-14(16)19/h6-8,12,15,22H,2-5,9-11H2,1H3,(H,20,23)
InChIKeyJGMXYQGIBRJCDA-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.38
Rot. Bonds5

About 2-(azepan-1-yl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]propanamide

2-(azepan-1-yl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]propanamide (PubChem CID 111478283) has the molecular formula C17H24F2N2O2 and a molecular weight of 326.39 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]propanamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]propanamide
PubChem CID111478283
Molecular FormulaC17H24F2N2O2
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name2-(azepan-1-yl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]propanamide
SMILESCC(C(=O)NCC(O)c1c(F)cccc1F)N1CCCCCC1
InChIInChI=1S/C17H24F2N2O2/c1-12(21-9-4-2-3-5-10-21)17(23)20-11-15(22)16-13(18)7-6-8-14(16)19/h6-8,12,15,22H,2-5,9-11H2,1H3,(H,20,23)
InChIKeyJGMXYQGIBRJCDA-UHFFFAOYSA-N
XLogP2.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide
CID 111477458
2-(azepan-1-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide
CID 111430562
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)propanamide
CID 111451334
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
CID 111451652
2-(azepan-1-yl)-N-[2-(methylamino)propyl]propanamide
CID 120829070
N-(2-amino-2-phenylethyl)-2-(azepan-1-yl)propanamide
CID 119527892
2-(azepan-1-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide
CID 111430757
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-propanoylpiperidine-3-carboxamide
CID 111451571
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-cyclopropylpropanamide
CID 110623996
2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-N-propan-2-ylacetamide
CID 54938590
(2S)-2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94697489
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 46043414

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]propanamide?
The IUPAC name of 2-(azepan-1-yl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]propanamide (CID 111478283) is 2-(azepan-1-yl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]propanamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]propanamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]propanamide is CC(C(=O)NCC(O)c1c(F)cccc1F)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]propanamide?
The InChIKey is JGMXYQGIBRJCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O2/c1-12(21-9-4-2-3-5-10-21)17(23)20-11-15(22)16-13(18)7-6-8-14(16)19/h6-8,12,15,22H,2-5,9-11H2,1H3,(H,20,23).
What are the key properties of 2-(azepan-1-yl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]propanamide?
2-(azepan-1-yl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]propanamide has a molecular weight of 326.39 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]propanamide is sourced from PubChem (CID 111478283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).