[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate

C21H20ClNO3 — CID 8589496

IUPAC[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
SMILESC[C@H]1Cc2ccccc2N1C(=O)COC(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H20ClNO3/c1-14-12-15-4-2-3-5-18(15)23(14)19(24)13-26-20(25)21(10-11-21)16-6-8-17(22)9-7-16/h2-9,14H,10-13H2,1H3/t14-/m0/s1
InChIKeyJYXXTTNUHBWBAC-AWEZNQCLSA-N
MW369.85 g/mol
LogP3.89
Rot. Bonds4

About [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate

[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate (PubChem CID 8589496) has the molecular formula C21H20ClNO3 and a molecular weight of 369.85 g/mol. Its IUPAC name is [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
PubChem CID8589496
Molecular FormulaC21H20ClNO3
Molecular Weight369.85 g/mol
Exact Mass369.11
IUPAC Name[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
SMILESC[C@H]1Cc2ccccc2N1C(=O)COC(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H20ClNO3/c1-14-12-15-4-2-3-5-18(15)23(14)19(24)13-26-20(25)21(10-11-21)16-6-8-17(22)9-7-16/h2-9,14H,10-13H2,1H3/t14-/m0/s1
InChIKeyJYXXTTNUHBWBAC-AWEZNQCLSA-N
XLogP3.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate with MolForge

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Related Compounds

[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 7868061
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2,5-dichlorobenzoate
CID 4790362
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
CID 9390506
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619953
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 7366038
2-(4-chlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 41066115
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 7170450
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2429810
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7291483
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8609203
ethyl 1-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]-4-phenylpiperidine-4-carboxylate
CID 7357281
3-(4-chlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 100589425

Frequently Asked Questions

What is the IUPAC name of [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate (CID 8589496) is [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate is C[C@H]1Cc2ccccc2N1C(=O)COC(=O)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
The InChIKey is JYXXTTNUHBWBAC-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H20ClNO3/c1-14-12-15-4-2-3-5-18(15)23(14)19(24)13-26-20(25)21(10-11-21)16-6-8-17(22)9-7-16/h2-9,14H,10-13H2,1H3/t14-/m0/s1.
What are the key properties of [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate has a molecular weight of 369.85 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 8589496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).