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

C21H21FN2O2 — CID 170857357

IUPAC(4-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
SMILESO=C(c1ccc(F)cc1)c1cn(CCN2CCOCC2)c2ccccc12
InChIInChI=1S/C21H21FN2O2/c22-17-7-5-16(6-8-17)21(25)19-15-24(20-4-2-1-3-18(19)20)10-9-23-11-13-26-14-12-23/h1-8,15H,9-14H2
InChIKeyJMFVRXDEQWNENY-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.34
Rot. Bonds5

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

(4-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone (PubChem CID 170857357) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
PubChem CID170857357
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name(4-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
SMILESO=C(c1ccc(F)cc1)c1cn(CCN2CCOCC2)c2ccccc12
InChIInChI=1S/C21H21FN2O2/c22-17-7-5-16(6-8-17)21(25)19-15-24(20-4-2-1-3-18(19)20)10-9-23-11-13-26-14-12-23/h1-8,15H,9-14H2
InChIKeyJMFVRXDEQWNENY-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

(2-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
CID 14896529
[1-(2-morpholin-4-ylethyl)indol-3-yl]-quinolin-6-ylmethanone
CID 10452672
4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile
CID 11742248
[1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone
CID 963177
[1-(2-morpholin-4-ylethyl)indol-3-yl]-spiro[2.5]octan-2-ylmethanone
CID 45486239
(3-isothiocyanatonaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
CID 10503315
N-(4-fluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 4085759
[1-(2-morpholin-4-ylethyl)indol-3-yl]methanamine
CID 66407723
(4-methylphenyl)-(1-propylindol-3-yl)methanone
CID 170857121
(4-methylphenyl)-(1-pentylindol-3-yl)methanone
CID 170857148
(3S)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 93119934
N-(1,3-benzodioxol-5-yl)-2-[3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 20868909

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone (CID 170857357) is (4-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone is O=C(c1ccc(F)cc1)c1cn(CCN2CCOCC2)c2ccccc12.
What is the InChIKey of (4-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone?
The InChIKey is JMFVRXDEQWNENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c22-17-7-5-16(6-8-17)21(25)19-15-24(20-4-2-1-3-18(19)20)10-9-23-11-13-26-14-12-23/h1-8,15H,9-14H2.
What are the key properties of (4-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone?
(4-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 (4-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone is sourced from PubChem (CID 170857357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).