(2S,3S)-3-[3-(2-chlorophenyl)indol-1-yl]-3-(3-fluorophenyl)propane-1,2-diol

C23H19ClFNO2 — CID 68902935

IUPAC(2S,3S)-3-[3-(2-chlorophenyl)indol-1-yl]-3-(3-fluorophenyl)propane-1,2-diol
SMILESOC[C@@H](O)[C@H](c1cccc(F)c1)n1cc(-c2ccccc2Cl)c2ccccc21
InChIInChI=1S/C23H19ClFNO2/c24-20-10-3-1-8-17(20)19-13-26(21-11-4-2-9-18(19)21)23(22(28)14-27)15-6-5-7-16(25)12-15/h1-13,22-23,27-28H,14H2/t22-,23+/m1/s1
InChIKeySKQQAVKSEBQIQI-PKTZIBPZSA-N
MW395.86 g/mol
LogP5.04
Rot. Bonds5

About (2S,3S)-3-[3-(2-chlorophenyl)indol-1-yl]-3-(3-fluorophenyl)propane-1,2-diol

(2S,3S)-3-[3-(2-chlorophenyl)indol-1-yl]-3-(3-fluorophenyl)propane-1,2-diol (PubChem CID 68902935) has the molecular formula C23H19ClFNO2 and a molecular weight of 395.86 g/mol. Its IUPAC name is (2S,3S)-3-[3-(2-chlorophenyl)indol-1-yl]-3-(3-fluorophenyl)propane-1,2-diol.

Molecular Properties

Compound Name(2S,3S)-3-[3-(2-chlorophenyl)indol-1-yl]-3-(3-fluorophenyl)propane-1,2-diol
PubChem CID68902935
Molecular FormulaC23H19ClFNO2
Molecular Weight395.86 g/mol
Exact Mass395.11
IUPAC Name(2S,3S)-3-[3-(2-chlorophenyl)indol-1-yl]-3-(3-fluorophenyl)propane-1,2-diol
SMILESOC[C@@H](O)[C@H](c1cccc(F)c1)n1cc(-c2ccccc2Cl)c2ccccc21
InChIInChI=1S/C23H19ClFNO2/c24-20-10-3-1-8-17(20)19-13-26(21-11-4-2-9-18(19)21)23(22(28)14-27)15-6-5-7-16(25)12-15/h1-13,22-23,27-28H,14H2/t22-,23+/m1/s1
InChIKeySKQQAVKSEBQIQI-PKTZIBPZSA-N
XLogP5.04
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.86
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-3-(3-tert-butylindol-1-yl)-3-(3-fluorophenyl)propane-1,2-diol
CID 68908036
(1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-[3-(2-propan-2-yloxyphenyl)indol-1-yl]propan-2-ol;methane;sulfane
CID 160611906
(1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(3-propan-2-ylindol-1-yl)propan-2-ol
CID 25253859
1-[1-(3-fluorophenyl)-2,3-dihydroxypropyl]indole-4-carbonitrile
CID 68907607
1-(3-tert-butylindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol
CID 68906978
(2S,3S)-3-phenyl-3-(4-phenylindol-1-yl)propane-1,2-diol
CID 69158114
(2S,3S)-3-(5-chloro-3-methylindol-1-yl)-3-phenylpropane-1,2-diol
CID 68904807
[3-(3-fluorophenyl)-2-hydroxy-3-[3-(3-methoxyphenyl)indol-1-yl]propyl] 4-methylbenzenesulfonate
CID 87617891
(1S,2R)-1-(3-fluorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol;hydrochloride
CID 68907902
3-[3-(3,4-dichlorophenyl)indol-1-yl]-3-(3-fluorophenyl)-N-methylpropan-1-amine
CID 141127005
(1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(4-methylindol-1-yl)propan-2-ol
CID 45483063
(2S,3S)-3-(3-fluorophenyl)-3-(5-phenylmethoxyindol-1-yl)propane-1,2-diol
CID 69159890

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-[3-(2-chlorophenyl)indol-1-yl]-3-(3-fluorophenyl)propane-1,2-diol?
The IUPAC name of (2S,3S)-3-[3-(2-chlorophenyl)indol-1-yl]-3-(3-fluorophenyl)propane-1,2-diol (CID 68902935) is (2S,3S)-3-[3-(2-chlorophenyl)indol-1-yl]-3-(3-fluorophenyl)propane-1,2-diol.
What is the SMILES notation for (2S,3S)-3-[3-(2-chlorophenyl)indol-1-yl]-3-(3-fluorophenyl)propane-1,2-diol?
The canonical SMILES for (2S,3S)-3-[3-(2-chlorophenyl)indol-1-yl]-3-(3-fluorophenyl)propane-1,2-diol is OC[C@@H](O)[C@H](c1cccc(F)c1)n1cc(-c2ccccc2Cl)c2ccccc21.
What is the InChIKey of (2S,3S)-3-[3-(2-chlorophenyl)indol-1-yl]-3-(3-fluorophenyl)propane-1,2-diol?
The InChIKey is SKQQAVKSEBQIQI-PKTZIBPZSA-N. The full InChI is InChI=1S/C23H19ClFNO2/c24-20-10-3-1-8-17(20)19-13-26(21-11-4-2-9-18(19)21)23(22(28)14-27)15-6-5-7-16(25)12-15/h1-13,22-23,27-28H,14H2/t22-,23+/m1/s1.
What are the key properties of (2S,3S)-3-[3-(2-chlorophenyl)indol-1-yl]-3-(3-fluorophenyl)propane-1,2-diol?
(2S,3S)-3-[3-(2-chlorophenyl)indol-1-yl]-3-(3-fluorophenyl)propane-1,2-diol has a molecular weight of 395.86 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-[3-(2-chlorophenyl)indol-1-yl]-3-(3-fluorophenyl)propane-1,2-diol is sourced from PubChem (CID 68902935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).