(3S)-3-(2-fluorophenyl)-3-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide

C24H28FN3O2 — CID 98762253

IUPAC(3S)-3-(2-fluorophenyl)-3-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCn1cc([C@H](CC(=O)NCCN2CCOCC2)c2ccccc2F)c2ccccc21
InChIInChI=1S/C24H28FN3O2/c1-27-17-21(19-7-3-5-9-23(19)27)20(18-6-2-4-8-22(18)25)16-24(29)26-10-11-28-12-14-30-15-13-28/h2-9,17,20H,10-16H2,1H3,(H,26,29)/t20-/m1/s1
InChIKeyJOJOPYGRXSZICD-HXUWFJFHSA-N
MW409.51 g/mol
LogP3.29
Rot. Bonds7

About (3S)-3-(2-fluorophenyl)-3-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide

(3S)-3-(2-fluorophenyl)-3-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 98762253) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is (3S)-3-(2-fluorophenyl)-3-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name(3S)-3-(2-fluorophenyl)-3-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID98762253
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name(3S)-3-(2-fluorophenyl)-3-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCn1cc([C@H](CC(=O)NCCN2CCOCC2)c2ccccc2F)c2ccccc21
InChIInChI=1S/C24H28FN3O2/c1-27-17-21(19-7-3-5-9-23(19)27)20(18-6-2-4-8-22(18)25)16-24(29)26-10-11-28-12-14-30-15-13-28/h2-9,17,20H,10-16H2,1H3,(H,26,29)/t20-/m1/s1
InChIKeyJOJOPYGRXSZICD-HXUWFJFHSA-N
XLogP3.29
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 3336286
3-cyclohexyl-3-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 83285670
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 42802930
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 3378409
3-(1-methylindol-3-yl)-N-(2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide
CID 42778058
(3S)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 93119934
(3S)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-piperidin-1-ylethyl)propanamide
CID 1026696
(3S)-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 92959586
(3S)-3-(3,4-dichlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 98443806
(3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 93052060
3-(7-ethyl-1H-indol-3-yl)-3-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 91635109
(3S)-3-(3,5-dimethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 98431828

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-fluorophenyl)-3-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of (3S)-3-(2-fluorophenyl)-3-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide (CID 98762253) is (3S)-3-(2-fluorophenyl)-3-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for (3S)-3-(2-fluorophenyl)-3-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for (3S)-3-(2-fluorophenyl)-3-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide is Cn1cc([C@H](CC(=O)NCCN2CCOCC2)c2ccccc2F)c2ccccc21.
What is the InChIKey of (3S)-3-(2-fluorophenyl)-3-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is JOJOPYGRXSZICD-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-27-17-21(19-7-3-5-9-23(19)27)20(18-6-2-4-8-22(18)25)16-24(29)26-10-11-28-12-14-30-15-13-28/h2-9,17,20H,10-16H2,1H3,(H,26,29)/t20-/m1/s1.
What are the key properties of (3S)-3-(2-fluorophenyl)-3-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide?
(3S)-3-(2-fluorophenyl)-3-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 409.51 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-fluorophenyl)-3-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 98762253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).