(3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide

C23H26FN3O2 — CID 93052060

IUPAC(3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
SMILESO=C(C[C@H](c1ccc(F)cc1)c1c[nH]c2ccccc12)NCCN1CCOCC1
InChIInChI=1S/C23H26FN3O2/c24-18-7-5-17(6-8-18)20(21-16-26-22-4-2-1-3-19(21)22)15-23(28)25-9-10-27-11-13-29-14-12-27/h1-8,16,20,26H,9-15H2,(H,25,28)/t20-/m1/s1
InChIKeyBMJSYUSSLRICMR-HXUWFJFHSA-N
MW395.48 g/mol
LogP3.28
Rot. Bonds7

About (3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide

(3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 93052060) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is (3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name(3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID93052060
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name(3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
SMILESO=C(C[C@H](c1ccc(F)cc1)c1c[nH]c2ccccc12)NCCN1CCOCC1
InChIInChI=1S/C23H26FN3O2/c24-18-7-5-17(6-8-18)20(21-16-26-22-4-2-1-3-19(21)22)15-23(28)25-9-10-27-11-13-29-14-12-27/h1-8,16,20,26H,9-15H2,(H,25,28)/t20-/m1/s1
InChIKeyBMJSYUSSLRICMR-HXUWFJFHSA-N
XLogP3.28
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)-3-(3-phenoxyphenyl)propanamide
CID 93064292
2-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 70160615
3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 46131354
3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 42778001
3-(4-fluorophenyl)-3-(5-nitro-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 91635094
(3S)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 93119934
3-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 42804840
3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 42802261
3-(4-fluorophenyl)-3-(1H-indol-3-yl)propanoic acid
CID 3550541
3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide
CID 3394392
(3S)-3-(3,4-dichlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 98443806
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-morpholin-4-ylacetamide
CID 9450428

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of (3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide (CID 93052060) is (3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for (3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for (3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide is O=C(C[C@H](c1ccc(F)cc1)c1c[nH]c2ccccc12)NCCN1CCOCC1.
What is the InChIKey of (3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is BMJSYUSSLRICMR-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H26FN3O2/c24-18-7-5-17(6-8-18)20(21-16-26-22-4-2-1-3-19(21)22)15-23(28)25-9-10-27-11-13-29-14-12-27/h1-8,16,20,26H,9-15H2,(H,25,28)/t20-/m1/s1.
What are the key properties of (3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide?
(3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 395.48 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 93052060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).