ethane;2-[6-fluoro-4-[(2-hydroxyethylamino)methyl]indol-1-yl]-1-(4-fluorophenyl)ethanone

C21H24F2N2O2 — CID 177193482

IUPACethane;2-[6-fluoro-4-[(2-hydroxyethylamino)methyl]indol-1-yl]-1-(4-fluorophenyl)ethanone
SMILESCC.O=C(Cn1ccc2c(CNCCO)cc(F)cc21)c1ccc(F)cc1
InChIInChI=1S/C19H18F2N2O2.C2H6/c20-15-3-1-13(2-4-15)19(25)12-23-7-5-17-14(11-22-6-8-24)9-16(21)10-18(17)23;1-2/h1-5,7,9-10,22,24H,6,8,11-12H2;1-2H3
InChIKeyGJVAJECJXJKHDR-UHFFFAOYSA-N
MW374.43 g/mol
LogP3.91
Rot. Bonds7

About ethane;2-[6-fluoro-4-[(2-hydroxyethylamino)methyl]indol-1-yl]-1-(4-fluorophenyl)ethanone

ethane;2-[6-fluoro-4-[(2-hydroxyethylamino)methyl]indol-1-yl]-1-(4-fluorophenyl)ethanone (PubChem CID 177193482) has the molecular formula C21H24F2N2O2 and a molecular weight of 374.43 g/mol. Its IUPAC name is ethane;2-[6-fluoro-4-[(2-hydroxyethylamino)methyl]indol-1-yl]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Nameethane;2-[6-fluoro-4-[(2-hydroxyethylamino)methyl]indol-1-yl]-1-(4-fluorophenyl)ethanone
PubChem CID177193482
Molecular FormulaC21H24F2N2O2
Molecular Weight374.43 g/mol
Exact Mass374.18
IUPAC Nameethane;2-[6-fluoro-4-[(2-hydroxyethylamino)methyl]indol-1-yl]-1-(4-fluorophenyl)ethanone
SMILESCC.O=C(Cn1ccc2c(CNCCO)cc(F)cc21)c1ccc(F)cc1
InChIInChI=1S/C19H18F2N2O2.C2H6/c20-15-3-1-13(2-4-15)19(25)12-23-7-5-17-14(11-22-6-8-24)9-16(21)10-18(17)23;1-2/h1-5,7,9-10,22,24H,6,8,11-12H2;1-2H3
InChIKeyGJVAJECJXJKHDR-UHFFFAOYSA-N
XLogP3.91
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[6-fluoro-1-[(4-fluorophenyl)methyl]-3-methylindol-4-yl]methylamino]ethanol
CID 177193504
tert-butyl N-[2-[2-[2-[2-[[1-[(4-chlorophenyl)methyl]-6-fluoroindol-4-yl]methylamino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 176845601
2-(5-fluoroindol-1-yl)-1-(3-fluorophenyl)ethanone
CID 63851474
2-[(2-bromo-4-fluorophenyl)methylamino]ethanol
CID 43416404
2-[3-[2-[[1-[(4-chlorophenyl)methyl]-6-fluoroindol-4-yl]methylamino]ethoxy]propoxy]acetaldehyde
CID 177193385
2-(4,6-dichloroindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 103427962
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738
2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)ethanone
CID 54958156
1-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-6-(hydroxymethyl)-4-methoxyindol-1-yl]ethanone
CID 118535565
1-(2,5-dimethylphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
CID 7286860
2-(4-bromoindol-1-yl)-1-(3,4-difluorophenyl)ethanone
CID 115351663
1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride
CID 13302047

Frequently Asked Questions

What is the IUPAC name of ethane;2-[6-fluoro-4-[(2-hydroxyethylamino)methyl]indol-1-yl]-1-(4-fluorophenyl)ethanone?
The IUPAC name of ethane;2-[6-fluoro-4-[(2-hydroxyethylamino)methyl]indol-1-yl]-1-(4-fluorophenyl)ethanone (CID 177193482) is ethane;2-[6-fluoro-4-[(2-hydroxyethylamino)methyl]indol-1-yl]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for ethane;2-[6-fluoro-4-[(2-hydroxyethylamino)methyl]indol-1-yl]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for ethane;2-[6-fluoro-4-[(2-hydroxyethylamino)methyl]indol-1-yl]-1-(4-fluorophenyl)ethanone is CC.O=C(Cn1ccc2c(CNCCO)cc(F)cc21)c1ccc(F)cc1.
What is the InChIKey of ethane;2-[6-fluoro-4-[(2-hydroxyethylamino)methyl]indol-1-yl]-1-(4-fluorophenyl)ethanone?
The InChIKey is GJVAJECJXJKHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O2.C2H6/c20-15-3-1-13(2-4-15)19(25)12-23-7-5-17-14(11-22-6-8-24)9-16(21)10-18(17)23;1-2/h1-5,7,9-10,22,24H,6,8,11-12H2;1-2H3.
What are the key properties of ethane;2-[6-fluoro-4-[(2-hydroxyethylamino)methyl]indol-1-yl]-1-(4-fluorophenyl)ethanone?
ethane;2-[6-fluoro-4-[(2-hydroxyethylamino)methyl]indol-1-yl]-1-(4-fluorophenyl)ethanone has a molecular weight of 374.43 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[6-fluoro-4-[(2-hydroxyethylamino)methyl]indol-1-yl]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 177193482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).