1-(azepan-1-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]ethanone

C16H23FN2O — CID 81364854

IUPAC1-(azepan-1-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]ethanone
SMILESC[C@H](NCC(=O)N1CCCCCC1)c1cccc(F)c1
InChIInChI=1S/C16H23FN2O/c1-13(14-7-6-8-15(17)11-14)18-12-16(20)19-9-4-2-3-5-10-19/h6-8,11,13,18H,2-5,9-10,12H2,1H3/t13-/m0/s1
InChIKeyOKHFEKXXZDYWQQ-ZDUSSCGKSA-N
MW278.37 g/mol
LogP2.88
Rot. Bonds4

About 1-(azepan-1-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]ethanone

1-(azepan-1-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]ethanone (PubChem CID 81364854) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]ethanone
PubChem CID81364854
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name1-(azepan-1-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]ethanone
SMILESC[C@H](NCC(=O)N1CCCCCC1)c1cccc(F)c1
InChIInChI=1S/C16H23FN2O/c1-13(14-7-6-8-15(17)11-14)18-12-16(20)19-9-4-2-3-5-10-19/h6-8,11,13,18H,2-5,9-10,12H2,1H3/t13-/m0/s1
InChIKeyOKHFEKXXZDYWQQ-ZDUSSCGKSA-N
XLogP2.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(azepan-1-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]ethanone with MolForge

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Related Compounds

2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
CID 81365567
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81364899
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
CID 81347710
2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone
CID 28564943
N-[1-(3-fluorophenyl)ethyl]azepane-1-carboxamide
CID 115575913
3-[1-[(2-oxo-2-piperidin-1-ylethyl)amino]ethyl]benzonitrile
CID 115900500
2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 94333134
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 94333135
1-(azepan-1-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]propan-1-one
CID 81353078
2-[1-(2,4-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 115573568
N-cycloheptyl-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81352151
1-(azepan-1-yl)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethanone
CID 81380441

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]ethanone (CID 81364854) is 1-(azepan-1-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]ethanone is C[C@H](NCC(=O)N1CCCCCC1)c1cccc(F)c1.
What is the InChIKey of 1-(azepan-1-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]ethanone?
The InChIKey is OKHFEKXXZDYWQQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-13(14-7-6-8-15(17)11-14)18-12-16(20)19-9-4-2-3-5-10-19/h6-8,11,13,18H,2-5,9-10,12H2,1H3/t13-/m0/s1.
What are the key properties of 1-(azepan-1-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]ethanone?
1-(azepan-1-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]ethanone has a molecular weight of 278.37 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]ethanone is sourced from PubChem (CID 81364854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).