(2R)-2-(6-chlorobenzotriazol-1-yl)oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one

C18H17ClN4O2 — CID 40901090

IUPAC(2R)-2-(6-chlorobenzotriazol-1-yl)oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
SMILESC[C@@H]1Cc2ccccc2N1C(=O)[C@@H](C)On1nnc2ccc(Cl)cc21
InChIInChI=1S/C18H17ClN4O2/c1-11-9-13-5-3-4-6-16(13)22(11)18(24)12(2)25-23-17-10-14(19)7-8-15(17)20-21-23/h3-8,10-12H,9H2,1-2H3/t11-,12-/m1/s1
InChIKeySDEUZVVNUKDGQY-VXGBXAGGSA-N
MW356.81 g/mol
LogP2.88
Rot. Bonds3

About (2R)-2-(6-chlorobenzotriazol-1-yl)oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one

(2R)-2-(6-chlorobenzotriazol-1-yl)oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one (PubChem CID 40901090) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is (2R)-2-(6-chlorobenzotriazol-1-yl)oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(6-chlorobenzotriazol-1-yl)oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
PubChem CID40901090
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name(2R)-2-(6-chlorobenzotriazol-1-yl)oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
SMILESC[C@@H]1Cc2ccccc2N1C(=O)[C@@H](C)On1nnc2ccc(Cl)cc21
InChIInChI=1S/C18H17ClN4O2/c1-11-9-13-5-3-4-6-16(13)22(11)18(24)12(2)25-23-17-10-14(19)7-8-15(17)20-21-23/h3-8,10-12H,9H2,1-2H3/t11-,12-/m1/s1
InChIKeySDEUZVVNUKDGQY-VXGBXAGGSA-N
XLogP2.88
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-chloro-2-fluorobenzoate
CID 8664061
[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2,6-dichlorobenzoate
CID 7723620
[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-[(3-chlorobenzoyl)amino]acetate
CID 3898552
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 8579130
[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)acetate
CID 7865690
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-chlorobenzoate
CID 7477010
[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 8579429
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 8579431
(2,5-dichlorophenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176451
(2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 2432568
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 7717137
[(2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate
CID 7146703

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-chlorobenzotriazol-1-yl)oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?
The IUPAC name of (2R)-2-(6-chlorobenzotriazol-1-yl)oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one (CID 40901090) is (2R)-2-(6-chlorobenzotriazol-1-yl)oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(6-chlorobenzotriazol-1-yl)oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-(6-chlorobenzotriazol-1-yl)oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one is C[C@@H]1Cc2ccccc2N1C(=O)[C@@H](C)On1nnc2ccc(Cl)cc21.
What is the InChIKey of (2R)-2-(6-chlorobenzotriazol-1-yl)oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?
The InChIKey is SDEUZVVNUKDGQY-VXGBXAGGSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-11-9-13-5-3-4-6-16(13)22(11)18(24)12(2)25-23-17-10-14(19)7-8-15(17)20-21-23/h3-8,10-12H,9H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (2R)-2-(6-chlorobenzotriazol-1-yl)oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?
(2R)-2-(6-chlorobenzotriazol-1-yl)oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one has a molecular weight of 356.81 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6-chlorobenzotriazol-1-yl)oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one is sourced from PubChem (CID 40901090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).