[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate

C20H17ClFNO3 — CID 7718330

IUPAC[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESCc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C20H17ClFNO3/c1-11-19(13-6-3-4-9-17(13)23-11)20(25)12(2)26-18(24)10-14-15(21)7-5-8-16(14)22/h3-9,12,23H,10H2,1-2H3/t12-/m0/s1
InChIKeyRZXFYXAWYNBNIK-LBPRGKRZSA-N
MW373.81 g/mol
LogP4.63
Rot. Bonds5

About [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate

[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate (PubChem CID 7718330) has the molecular formula C20H17ClFNO3 and a molecular weight of 373.81 g/mol. Its IUPAC name is [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate.

Molecular Properties

Compound Name[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate
PubChem CID7718330
Molecular FormulaC20H17ClFNO3
Molecular Weight373.81 g/mol
Exact Mass373.09
IUPAC Name[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESCc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C20H17ClFNO3/c1-11-19(13-6-3-4-9-17(13)23-11)20(25)12(2)26-18(24)10-14-15(21)7-5-8-16(14)22/h3-9,12,23H,10H2,1-2H3/t12-/m0/s1
InChIKeyRZXFYXAWYNBNIK-LBPRGKRZSA-N
XLogP4.63
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.81
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate with MolForge

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Related Compounds

[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718329
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (E)-3-(2-chloro-6-fluorophenyl)prop-2-enoate
CID 7736415
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-chlorobenzoate
CID 7477053
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 7599860
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-methylpentanoate
CID 7848272
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954221
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718260
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (2R)-2-hydroxy-2-phenylacetate
CID 7821861
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8534992
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8534994
[1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate
CID 16523065
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate
CID 7829214

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate?
The IUPAC name of [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate (CID 7718330) is [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate.
What is the SMILES notation for [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate?
The canonical SMILES for [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate is Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate?
The InChIKey is RZXFYXAWYNBNIK-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H17ClFNO3/c1-11-19(13-6-3-4-9-17(13)23-11)20(25)12(2)26-18(24)10-14-15(21)7-5-8-16(14)22/h3-9,12,23H,10H2,1-2H3/t12-/m0/s1.
What are the key properties of [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate?
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate has a molecular weight of 373.81 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate is sourced from PubChem (CID 7718330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).