(2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone

C21H21FN2O2 — CID 38372236

IUPAC(2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone
SMILESCc1[nH]c2ccc(C(=O)N3CCO[C@H](c4ccc(F)cc4)C3)cc2c1C
InChIInChI=1S/C21H21FN2O2/c1-13-14(2)23-19-8-5-16(11-18(13)19)21(25)24-9-10-26-20(12-24)15-3-6-17(22)7-4-15/h3-8,11,20,23H,9-10,12H2,1-2H3/t20-/m0/s1
InChIKeyWUJGSKSWACQIFZ-FQEVSTJZSA-N
MW352.41 g/mol
LogP4.14
Rot. Bonds2

About (2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone

(2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone (PubChem CID 38372236) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is (2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone
PubChem CID38372236
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name(2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone
SMILESCc1[nH]c2ccc(C(=O)N3CCO[C@H](c4ccc(F)cc4)C3)cc2c1C
InChIInChI=1S/C21H21FN2O2/c1-13-14(2)23-19-8-5-16(11-18(13)19)21(25)24-9-10-26-20(12-24)15-3-6-17(22)7-4-15/h3-8,11,20,23H,9-10,12H2,1-2H3/t20-/m0/s1
InChIKeyWUJGSKSWACQIFZ-FQEVSTJZSA-N
XLogP4.14
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 155983479
(2,3-dimethyl-1H-indol-5-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129326330
N-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-methylphenyl]methanesulfonamide
CID 134044426
7-[2-(4-fluorophenyl)morpholine-4-carbonyl]-3-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 134044414
[2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 47913292
(4-ethylphenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 84545325
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxy-4-nitrophenyl)methanone
CID 38374133
[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxy-4-nitrophenyl)methanone
CID 38374136
[2-(4-fluorophenyl)morpholin-4-yl]-(5-iodothiophen-3-yl)methanone
CID 78950100
1-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 70761450
(2,3-dimethyl-1H-indol-5-yl)-(3-methylpiperazin-1-yl)methanone
CID 65418753
(4-fluorophenyl)-[2-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]methanone
CID 42949392

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone?
The IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone (CID 38372236) is (2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for (2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone is Cc1[nH]c2ccc(C(=O)N3CCO[C@H](c4ccc(F)cc4)C3)cc2c1C.
What is the InChIKey of (2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone?
The InChIKey is WUJGSKSWACQIFZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-13-14(2)23-19-8-5-16(11-18(13)19)21(25)24-9-10-26-20(12-24)15-3-6-17(22)7-4-15/h3-8,11,20,23H,9-10,12H2,1-2H3/t20-/m0/s1.
What are the key properties of (2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone?
(2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone has a molecular weight of 352.41 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 38372236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).