[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-chlorobenzoate

C18H16ClNO3 — CID 2078561

IUPAC[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-chlorobenzoate
SMILESC[C@H](OC(=O)c1ccccc1Cl)C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H16ClNO3/c1-12(23-18(22)14-7-3-4-8-15(14)19)17(21)20-11-10-13-6-2-5-9-16(13)20/h2-9,12H,10-11H2,1H3/t12-/m0/s1
InChIKeyGEYRUWIIZLMACN-LBPRGKRZSA-N
MW329.78 g/mol
LogP3.47
Rot. Bonds3

About [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-chlorobenzoate

[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-chlorobenzoate (PubChem CID 2078561) has the molecular formula C18H16ClNO3 and a molecular weight of 329.78 g/mol. Its IUPAC name is [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-chlorobenzoate.

Molecular Properties

Compound Name[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-chlorobenzoate
PubChem CID2078561
Molecular FormulaC18H16ClNO3
Molecular Weight329.78 g/mol
Exact Mass329.08
IUPAC Name[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-chlorobenzoate
SMILESC[C@H](OC(=O)c1ccccc1Cl)C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H16ClNO3/c1-12(23-18(22)14-7-3-4-8-15(14)19)17(21)20-11-10-13-6-2-5-9-16(13)20/h2-9,12H,10-11H2,1H3/t12-/m0/s1
InChIKeyGEYRUWIIZLMACN-LBPRGKRZSA-N
XLogP3.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2,5-dichlorobenzoate
CID 2661564
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2,3-dichlorobenzoate
CID 29246800
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 5-bromo-2-chlorobenzoate
CID 2661609
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(4-chlorobenzoyl)benzoate
CID 16540390
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-amino-3,5-dichlorobenzoate
CID 7864788
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-benzoylbenzoate
CID 2661465
[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-chloro-4-nitrobenzoate
CID 7718483
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] benzoate
CID 2661512
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-amino-4-chlorobenzoate
CID 2661506
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-pyridine-3-carboxylate
CID 42887043
[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-benzylbenzoate
CID 7809519
(2R)-2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7425461

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-chlorobenzoate?
The IUPAC name of [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-chlorobenzoate (CID 2078561) is [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-chlorobenzoate.
What is the SMILES notation for [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-chlorobenzoate?
The canonical SMILES for [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-chlorobenzoate is C[C@H](OC(=O)c1ccccc1Cl)C(=O)N1CCc2ccccc21.
What is the InChIKey of [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-chlorobenzoate?
The InChIKey is GEYRUWIIZLMACN-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H16ClNO3/c1-12(23-18(22)14-7-3-4-8-15(14)19)17(21)20-11-10-13-6-2-5-9-16(13)20/h2-9,12H,10-11H2,1H3/t12-/m0/s1.
What are the key properties of [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-chlorobenzoate?
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-chlorobenzoate has a molecular weight of 329.78 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-chlorobenzoate is sourced from PubChem (CID 2078561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).