1-[3-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4-fluorophenyl]ethanone

C16H15ClFNO2 — CID 110453023

IUPAC1-[3-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(F)c(NCC(O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClFNO2/c1-10(20)12-4-7-14(18)15(8-12)19-9-16(21)11-2-5-13(17)6-3-11/h2-8,16,19,21H,9H2,1H3
InChIKeyGDDUFGOGDLSARO-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.83
Rot. Bonds5

About 1-[3-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4-fluorophenyl]ethanone

1-[3-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4-fluorophenyl]ethanone (PubChem CID 110453023) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is 1-[3-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4-fluorophenyl]ethanone
PubChem CID110453023
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name1-[3-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(F)c(NCC(O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClFNO2/c1-10(20)12-4-7-14(18)15(8-12)19-9-16(21)11-2-5-13(17)6-3-11/h2-8,16,19,21H,9H2,1H3
InChIKeyGDDUFGOGDLSARO-UHFFFAOYSA-N
XLogP3.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4-fluorophenyl]ethanone with MolForge

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Related Compounds

1-[4-[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-nitrophenyl]ethanone
CID 25344830
1-(4-chlorophenyl)-2-(2,5-difluoroanilino)ethanol
CID 60897122
1-[2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-fluorophenyl]ethanone
CID 52566383
1-(4-chlorophenyl)-2-(2,3,5-trifluoroanilino)ethanol
CID 62809910
2-(5-bromo-4-fluoro-2-methylanilino)-1-(4-chlorophenyl)ethanol
CID 107591865
4-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide
CID 110663555
1-(4-chlorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644582
3-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide
CID 110663554
1-[4-fluoro-3-(methylamino)phenyl]ethanone
CID 67800838
2-(2-chloro-4-methylanilino)-1-(4-chlorophenyl)ethanol
CID 60724888
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-nitrobenzamide
CID 51076661

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4-fluorophenyl]ethanone?
The IUPAC name of 1-[3-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4-fluorophenyl]ethanone (CID 110453023) is 1-[3-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4-fluorophenyl]ethanone.
What is the SMILES notation for 1-[3-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4-fluorophenyl]ethanone?
The canonical SMILES for 1-[3-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4-fluorophenyl]ethanone is CC(=O)c1ccc(F)c(NCC(O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[3-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4-fluorophenyl]ethanone?
The InChIKey is GDDUFGOGDLSARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-10(20)12-4-7-14(18)15(8-12)19-9-16(21)11-2-5-13(17)6-3-11/h2-8,16,19,21H,9H2,1H3.
What are the key properties of 1-[3-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4-fluorophenyl]ethanone?
1-[3-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4-fluorophenyl]ethanone has a molecular weight of 307.75 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4-fluorophenyl]ethanone is sourced from PubChem (CID 110453023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).