1-[2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-fluorophenyl]ethanone

C16H15ClFNO2 — CID 52566383

IUPAC1-[2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-fluorophenyl]ethanone
SMILESCC(=O)c1c(F)cccc1NC[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClFNO2/c1-10(20)16-13(18)3-2-4-14(16)19-9-15(21)11-5-7-12(17)8-6-11/h2-8,15,19,21H,9H2,1H3/t15-/m1/s1
InChIKeyNVIWPWFBAGKSHF-OAHLLOKOSA-N
MW307.75 g/mol
LogP3.83
Rot. Bonds5

About 1-[2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-fluorophenyl]ethanone

1-[2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-fluorophenyl]ethanone (PubChem CID 52566383) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is 1-[2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-fluorophenyl]ethanone
PubChem CID52566383
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name1-[2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-fluorophenyl]ethanone
SMILESCC(=O)c1c(F)cccc1NC[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClFNO2/c1-10(20)16-13(18)3-2-4-14(16)19-9-15(21)11-5-7-12(17)8-6-11/h2-8,15,19,21H,9H2,1H3/t15-/m1/s1
InChIKeyNVIWPWFBAGKSHF-OAHLLOKOSA-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

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Related Compounds

1-[3-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4-fluorophenyl]ethanone
CID 110453023
1-[2-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-6-fluorophenyl]ethanone
CID 133276893
1-(4-chlorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644582
2-(2,3-difluoroanilino)-1-(4-fluorophenyl)ethanol
CID 61076629
1-(4-chlorophenyl)-2-(2,5-difluoroanilino)ethanol
CID 60897122
1-[2-(benzylamino)-6-fluorophenyl]ethanone
CID 52521850
2,6-difluoro-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]benzamide
CID 6733826
1-(4-chlorophenyl)-2-(2,3,5-trifluoroanilino)ethanol
CID 62809910
1-[2-fluoro-6-[2-(2-methoxyphenoxy)propylamino]phenyl]ethanone
CID 133324534
2-(2,3-dihydroxypropylamino)-6-fluorobenzamide
CID 168593553
1-[4-[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-nitrophenyl]ethanone
CID 25344830
2-(5-bromo-4-fluoro-2-methylanilino)-1-(4-chlorophenyl)ethanol
CID 107591865

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-fluorophenyl]ethanone?
The IUPAC name of 1-[2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-fluorophenyl]ethanone (CID 52566383) is 1-[2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-fluorophenyl]ethanone is CC(=O)c1c(F)cccc1NC[C@@H](O)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-fluorophenyl]ethanone?
The InChIKey is NVIWPWFBAGKSHF-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-10(20)16-13(18)3-2-4-14(16)19-9-15(21)11-5-7-12(17)8-6-11/h2-8,15,19,21H,9H2,1H3/t15-/m1/s1.
What are the key properties of 1-[2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-fluorophenyl]ethanone?
1-[2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-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-[2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-fluorophenyl]ethanone is sourced from PubChem (CID 52566383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).