1-(azepan-1-yl)-2-[[1-(3,4-difluorophenyl)-2-methoxyethyl]amino]ethanone

C17H24F2N2O2 — CID 75471820

IUPAC1-(azepan-1-yl)-2-[[1-(3,4-difluorophenyl)-2-methoxyethyl]amino]ethanone
SMILESCOCC(NCC(=O)N1CCCCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H24F2N2O2/c1-23-12-16(13-6-7-14(18)15(19)10-13)20-11-17(22)21-8-4-2-3-5-9-21/h6-7,10,16,20H,2-5,8-9,11-12H2,1H3
InChIKeyWRUIAXIPGKXCIV-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.64
Rot. Bonds6

About 1-(azepan-1-yl)-2-[[1-(3,4-difluorophenyl)-2-methoxyethyl]amino]ethanone

1-(azepan-1-yl)-2-[[1-(3,4-difluorophenyl)-2-methoxyethyl]amino]ethanone (PubChem CID 75471820) has the molecular formula C17H24F2N2O2 and a molecular weight of 326.39 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[[1-(3,4-difluorophenyl)-2-methoxyethyl]amino]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[[1-(3,4-difluorophenyl)-2-methoxyethyl]amino]ethanone
PubChem CID75471820
Molecular FormulaC17H24F2N2O2
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name1-(azepan-1-yl)-2-[[1-(3,4-difluorophenyl)-2-methoxyethyl]amino]ethanone
SMILESCOCC(NCC(=O)N1CCCCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H24F2N2O2/c1-23-12-16(13-6-7-14(18)15(19)10-13)20-11-17(22)21-8-4-2-3-5-9-21/h6-7,10,16,20H,2-5,8-9,11-12H2,1H3
InChIKeyWRUIAXIPGKXCIV-UHFFFAOYSA-N
XLogP2.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(azepan-1-yl)-2-[[1-(3,4-difluorophenyl)-2-methoxyethyl]amino]ethanone with MolForge

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Related Compounds

1-(azepan-1-yl)-2-[[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]ethanone
CID 97349144
2-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-1-piperidin-1-ylethanone
CID 75504575
3-[(2-methoxy-1-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 103463484
[1-(3,4-difluorophenyl)-2-methoxyethyl]hydrazine
CID 105197185
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
CID 81347710
(2R)-2-amino-N-[1-(3,4-difluorophenyl)-2-methoxyethyl]propanamide
CID 120874042
2-[[1-(3,4-difluorophenyl)-2-methoxyethyl]amino]-1-[(7Z)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone
CID 167978741
3-methoxy-2-[(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
CID 103262728
1-piperidin-1-yl-2-(2,4,5-trifluoroanilino)ethanone
CID 55118306
2-(1-phenylpropylamino)-1-piperidin-1-ylethanone
CID 54845364
(1R)-1-(3,4-difluorophenyl)-2-methoxy-N-[[(2S)-oxan-2-yl]methyl]ethanamine
CID 97333998
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
CID 81365567

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[[1-(3,4-difluorophenyl)-2-methoxyethyl]amino]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[[1-(3,4-difluorophenyl)-2-methoxyethyl]amino]ethanone (CID 75471820) is 1-(azepan-1-yl)-2-[[1-(3,4-difluorophenyl)-2-methoxyethyl]amino]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[[1-(3,4-difluorophenyl)-2-methoxyethyl]amino]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[[1-(3,4-difluorophenyl)-2-methoxyethyl]amino]ethanone is COCC(NCC(=O)N1CCCCCC1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(azepan-1-yl)-2-[[1-(3,4-difluorophenyl)-2-methoxyethyl]amino]ethanone?
The InChIKey is WRUIAXIPGKXCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O2/c1-23-12-16(13-6-7-14(18)15(19)10-13)20-11-17(22)21-8-4-2-3-5-9-21/h6-7,10,16,20H,2-5,8-9,11-12H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-[[1-(3,4-difluorophenyl)-2-methoxyethyl]amino]ethanone?
1-(azepan-1-yl)-2-[[1-(3,4-difluorophenyl)-2-methoxyethyl]amino]ethanone has a molecular weight of 326.39 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[[1-(3,4-difluorophenyl)-2-methoxyethyl]amino]ethanone is sourced from PubChem (CID 75471820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).