2-(1,4-diazepan-1-yl)-2-(2-fluorophenyl)propanamide

C14H20FN3O — CID 54891219

IUPAC2-(1,4-diazepan-1-yl)-2-(2-fluorophenyl)propanamide
SMILESCC(C(N)=O)(c1ccccc1F)N1CCCNCC1
InChIInChI=1S/C14H20FN3O/c1-14(13(16)19,11-5-2-3-6-12(11)15)18-9-4-7-17-8-10-18/h2-3,5-6,17H,4,7-10H2,1H3,(H2,16,19)
InChIKeyQQHKHBQBTYVIDL-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.82
Rot. Bonds3

About 2-(1,4-diazepan-1-yl)-2-(2-fluorophenyl)propanamide

2-(1,4-diazepan-1-yl)-2-(2-fluorophenyl)propanamide (PubChem CID 54891219) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-2-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-2-(2-fluorophenyl)propanamide
PubChem CID54891219
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name2-(1,4-diazepan-1-yl)-2-(2-fluorophenyl)propanamide
SMILESCC(C(N)=O)(c1ccccc1F)N1CCCNCC1
InChIInChI=1S/C14H20FN3O/c1-14(13(16)19,11-5-2-3-6-12(11)15)18-9-4-7-17-8-10-18/h2-3,5-6,17H,4,7-10H2,1H3,(H2,16,19)
InChIKeyQQHKHBQBTYVIDL-UHFFFAOYSA-N
XLogP0.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-fluorophenyl)-2-piperazin-1-ylpropanoate
CID 61002272
2-(1,4-diazepan-1-yl)-2-(2,6-difluorophenyl)propanoic acid
CID 60994521
2-(1,4-diazepan-1-yl)-2-(2,5-difluorophenyl)propanoic acid
CID 60994245
2-(2,5-dichlorophenyl)-2-piperazin-1-ylpropanamide
CID 54891363
3-(2-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 114831921
ethyl 2-(1,4-diazepan-1-yl)-2-phenylpropanoate
CID 60992972
2-(1,3-benzodioxol-5-yl)-2-(1,4-diazepan-1-yl)propanamide
CID 60997169
2-(1,4-diazepan-1-yl)-3,3,3-trifluoro-2-methylpropanamide
CID 106523258
methyl 2-(1,4-diazepan-1-yl)-2-pyridin-2-ylpropanoate
CID 54890200
methyl 2-(2-chlorophenyl)-2-piperazin-1-ylpropanoate
CID 54895358
1-(2-fluorophenyl)-3-methyl-3-piperazin-1-ylbutan-1-one
CID 116924095
2-(4-ethoxyphenyl)-2-piperazin-1-ylpropanamide
CID 60992132

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-2-(2-fluorophenyl)propanamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-2-(2-fluorophenyl)propanamide (CID 54891219) is 2-(1,4-diazepan-1-yl)-2-(2-fluorophenyl)propanamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-2-(2-fluorophenyl)propanamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-2-(2-fluorophenyl)propanamide is CC(C(N)=O)(c1ccccc1F)N1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-2-(2-fluorophenyl)propanamide?
The InChIKey is QQHKHBQBTYVIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-14(13(16)19,11-5-2-3-6-12(11)15)18-9-4-7-17-8-10-18/h2-3,5-6,17H,4,7-10H2,1H3,(H2,16,19).
What are the key properties of 2-(1,4-diazepan-1-yl)-2-(2-fluorophenyl)propanamide?
2-(1,4-diazepan-1-yl)-2-(2-fluorophenyl)propanamide has a molecular weight of 265.33 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-2-(2-fluorophenyl)propanamide is sourced from PubChem (CID 54891219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).