(2-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone

C21H21FN2O2 — CID 14896529

IUPAC(2-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
SMILESO=C(c1ccccc1F)c1cn(CCN2CCOCC2)c2ccccc12
InChIInChI=1S/C21H21FN2O2/c22-19-7-3-1-6-17(19)21(25)18-15-24(20-8-4-2-5-16(18)20)10-9-23-11-13-26-14-12-23/h1-8,15H,9-14H2
InChIKeyZNDVLYAWTQAWSE-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.34
Rot. Bonds5

About (2-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone

(2-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone (PubChem CID 14896529) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is (2-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
PubChem CID14896529
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name(2-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
SMILESO=C(c1ccccc1F)c1cn(CCN2CCOCC2)c2ccccc12
InChIInChI=1S/C21H21FN2O2/c22-19-7-3-1-6-17(19)21(25)18-15-24(20-8-4-2-5-16(18)20)10-9-23-11-13-26-14-12-23/h1-8,15H,9-14H2
InChIKeyZNDVLYAWTQAWSE-UHFFFAOYSA-N
XLogP3.34
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
CID 170857357
4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile
CID 11742248
(3-isothiocyanatonaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
CID 10503315
[1-(2-morpholin-4-ylethyl)indol-3-yl]-quinolin-6-ylmethanone
CID 10452672
[1-(2-morpholin-4-ylethyl)indol-3-yl]-spiro[2.5]octan-2-ylmethanone
CID 45486239
[1-(2-morpholin-4-ylethyl)indol-3-yl]methanamine
CID 66407723
[1-[2-(4-tert-butylphenoxy)ethyl]indol-3-yl]-(2-fluorophenyl)methanone
CID 4269954
2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 1095465
(2-fluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724246
N-(2-fluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 4085757
[1-[2-(azepan-1-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11537904
2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 46993248

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone (CID 14896529) is (2-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone is O=C(c1ccccc1F)c1cn(CCN2CCOCC2)c2ccccc12.
What is the InChIKey of (2-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone?
The InChIKey is ZNDVLYAWTQAWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c22-19-7-3-1-6-17(19)21(25)18-15-24(20-8-4-2-5-16(18)20)10-9-23-11-13-26-14-12-23/h1-8,15H,9-14H2.
What are the key properties of (2-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone?
(2-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone has a molecular weight of 352.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone is sourced from PubChem (CID 14896529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).