5-fluoro-2-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-3-methyl-1H-indole

C19H18F2N2O — CID 77092135

IUPAC5-fluoro-2-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-3-methyl-1H-indole
SMILESCc1c(CN2CC(Oc3ccccc3F)C2)[nH]c2ccc(F)cc12
InChIInChI=1S/C19H18F2N2O/c1-12-15-8-13(20)6-7-17(15)22-18(12)11-23-9-14(10-23)24-19-5-3-2-4-16(19)21/h2-8,14,22H,9-11H2,1H3
InChIKeyACYRKWPIFMYTCW-UHFFFAOYSA-N
MW328.36 g/mol
LogP4.02
Rot. Bonds4

About 5-fluoro-2-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-3-methyl-1H-indole

5-fluoro-2-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-3-methyl-1H-indole (PubChem CID 77092135) has the molecular formula C19H18F2N2O and a molecular weight of 328.36 g/mol. Its IUPAC name is 5-fluoro-2-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-3-methyl-1H-indole.

Molecular Properties

Compound Name5-fluoro-2-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-3-methyl-1H-indole
PubChem CID77092135
Molecular FormulaC19H18F2N2O
Molecular Weight328.36 g/mol
Exact Mass328.14
IUPAC Name5-fluoro-2-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-3-methyl-1H-indole
SMILESCc1c(CN2CC(Oc3ccccc3F)C2)[nH]c2ccc(F)cc12
InChIInChI=1S/C19H18F2N2O/c1-12-15-8-13(20)6-7-17(15)22-18(12)11-23-9-14(10-23)24-19-5-3-2-4-16(19)21/h2-8,14,22H,9-11H2,1H3
InChIKeyACYRKWPIFMYTCW-UHFFFAOYSA-N
XLogP4.02
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 54.02
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

1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol
CID 16673537
(3R,4R)-1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol
CID 25385611
N-[(3R,4R)-1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide
CID 110133048
1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol
CID 46967079
1-[[5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]thiophen-2-yl]methyl]pyrrolidine
CID 77078553
5-methoxy-2-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]-3-methyl-1H-indole
CID 74241751
5-fluoro-3-methyl-2-propyl-1H-indole
CID 72942274
5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-4-propan-2-ylthiadiazole
CID 91829948
5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]quinoline
CID 74238263
(1R,5R)-6-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 72903638
(2S)-4-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-N,2-dimethylmorpholine-2-carboxamide
CID 95839618
4-(4-fluorophenyl)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-ol
CID 46967077

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-3-methyl-1H-indole?
The IUPAC name of 5-fluoro-2-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-3-methyl-1H-indole (CID 77092135) is 5-fluoro-2-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-3-methyl-1H-indole.
What is the SMILES notation for 5-fluoro-2-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-3-methyl-1H-indole?
The canonical SMILES for 5-fluoro-2-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-3-methyl-1H-indole is Cc1c(CN2CC(Oc3ccccc3F)C2)[nH]c2ccc(F)cc12.
What is the InChIKey of 5-fluoro-2-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-3-methyl-1H-indole?
The InChIKey is ACYRKWPIFMYTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O/c1-12-15-8-13(20)6-7-17(15)22-18(12)11-23-9-14(10-23)24-19-5-3-2-4-16(19)21/h2-8,14,22H,9-11H2,1H3.
What are the key properties of 5-fluoro-2-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-3-methyl-1H-indole?
5-fluoro-2-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-3-methyl-1H-indole has a molecular weight of 328.36 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-3-methyl-1H-indole is sourced from PubChem (CID 77092135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).