[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-[(2-fluorophenyl)methyl]indol-2-yl]methanone

C22H23FN2O2 — CID 52528847

IUPAC[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-[(2-fluorophenyl)methyl]indol-2-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cc3ccccc3n2Cc2ccccc2F)C[C@H](C)O1
InChIInChI=1S/C22H23FN2O2/c1-15-12-24(13-16(2)27-15)22(26)21-11-17-7-4-6-10-20(17)25(21)14-18-8-3-5-9-19(18)23/h3-11,15-16H,12-14H2,1-2H3/t15-,16-/m0/s1
InChIKeyNJZFSINFUHZIAU-HOTGVXAUSA-N
MW366.44 g/mol
LogP4.08
Rot. Bonds3

About [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-[(2-fluorophenyl)methyl]indol-2-yl]methanone

[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-[(2-fluorophenyl)methyl]indol-2-yl]methanone (PubChem CID 52528847) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-[(2-fluorophenyl)methyl]indol-2-yl]methanone.

Molecular Properties

Compound Name[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-[(2-fluorophenyl)methyl]indol-2-yl]methanone
PubChem CID52528847
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-[(2-fluorophenyl)methyl]indol-2-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cc3ccccc3n2Cc2ccccc2F)C[C@H](C)O1
InChIInChI=1S/C22H23FN2O2/c1-15-12-24(13-16(2)27-15)22(26)21-11-17-7-4-6-10-20(17)25(21)14-18-8-3-5-9-19(18)23/h3-11,15-16H,12-14H2,1-2H3/t15-,16-/m0/s1
InChIKeyNJZFSINFUHZIAU-HOTGVXAUSA-N
XLogP4.08
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-[(2-fluorophenyl)methyl]indol-2-yl]methanone with MolForge

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Related Compounds

1-[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251843
[4-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42791194
(4-benzyl-2-methylfuro[3,2-b]pyrrol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 42791174
propan-2-yl 2-[[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]amino]acetate
CID 56551042
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[3-[(2-fluorophenyl)methylsulfanyl]indol-1-yl]ethanone
CID 8544009
(5Z)-5-[[3-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methylidene]-3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 93002175
(2,6-dimethylmorpholin-4-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone
CID 42754732
1-[(2-fluorophenyl)methyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxamide
CID 86852407
[2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 23968528
(2,6-dimethylmorpholin-4-yl)-(1-ethyl-3-methylindol-2-yl)methanone
CID 110498751
N-[2-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]-2-(2-fluorophenyl)acetamide
CID 42449009
[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone
CID 138005082

Frequently Asked Questions

What is the IUPAC name of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-[(2-fluorophenyl)methyl]indol-2-yl]methanone?
The IUPAC name of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-[(2-fluorophenyl)methyl]indol-2-yl]methanone (CID 52528847) is [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-[(2-fluorophenyl)methyl]indol-2-yl]methanone.
What is the SMILES notation for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-[(2-fluorophenyl)methyl]indol-2-yl]methanone?
The canonical SMILES for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-[(2-fluorophenyl)methyl]indol-2-yl]methanone is C[C@H]1CN(C(=O)c2cc3ccccc3n2Cc2ccccc2F)C[C@H](C)O1.
What is the InChIKey of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-[(2-fluorophenyl)methyl]indol-2-yl]methanone?
The InChIKey is NJZFSINFUHZIAU-HOTGVXAUSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-15-12-24(13-16(2)27-15)22(26)21-11-17-7-4-6-10-20(17)25(21)14-18-8-3-5-9-19(18)23/h3-11,15-16H,12-14H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-[(2-fluorophenyl)methyl]indol-2-yl]methanone?
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-[(2-fluorophenyl)methyl]indol-2-yl]methanone has a molecular weight of 366.44 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-[(2-fluorophenyl)methyl]indol-2-yl]methanone is sourced from PubChem (CID 52528847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).