(2R)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-methyl-3-morpholin-4-ylpropanamide

C24H28FN3O2 — CID 96574491

IUPAC(2R)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-methyl-3-morpholin-4-ylpropanamide
SMILESCc1c(-c2ccc(F)cc2)[nH]c2ccc(CNC(=O)[C@H](C)CN3CCOCC3)cc12
InChIInChI=1S/C24H28FN3O2/c1-16(15-28-9-11-30-12-10-28)24(29)26-14-18-3-8-22-21(13-18)17(2)23(27-22)19-4-6-20(25)7-5-19/h3-8,13,16,27H,9-12,14-15H2,1-2H3,(H,26,29)/t16-/m1/s1
InChIKeyOOSNBQHZAURYTE-MRXNPFEDSA-N
MW409.51 g/mol
LogP3.87
Rot. Bonds6

About (2R)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-methyl-3-morpholin-4-ylpropanamide

(2R)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-methyl-3-morpholin-4-ylpropanamide (PubChem CID 96574491) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is (2R)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-methyl-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-methyl-3-morpholin-4-ylpropanamide
PubChem CID96574491
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name(2R)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-methyl-3-morpholin-4-ylpropanamide
SMILESCc1c(-c2ccc(F)cc2)[nH]c2ccc(CNC(=O)[C@H](C)CN3CCOCC3)cc12
InChIInChI=1S/C24H28FN3O2/c1-16(15-28-9-11-30-12-10-28)24(29)26-14-18-3-8-22-21(13-18)17(2)23(27-22)19-4-6-20(25)7-5-19/h3-8,13,16,27H,9-12,14-15H2,1-2H3,(H,26,29)/t16-/m1/s1
InChIKeyOOSNBQHZAURYTE-MRXNPFEDSA-N
XLogP3.87
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxypropanamide
CID 56874089
N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 56865929
N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 56868490
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide
CID 124942272
3-(4-fluorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]propanamide
CID 110305497
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxybutanamide
CID 56864638
(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide
CID 94606450
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2S)-1-morpholin-4-ylbutan-2-yl]acetamide
CID 51593800
(2R)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide
CID 125179788
2-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-4-N-methylpyrimidine-2,4-diamine
CID 56863644
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 26406442
(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958923

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-methyl-3-morpholin-4-ylpropanamide?
The IUPAC name of (2R)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-methyl-3-morpholin-4-ylpropanamide (CID 96574491) is (2R)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-methyl-3-morpholin-4-ylpropanamide.
What is the SMILES notation for (2R)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-methyl-3-morpholin-4-ylpropanamide?
The canonical SMILES for (2R)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-methyl-3-morpholin-4-ylpropanamide is Cc1c(-c2ccc(F)cc2)[nH]c2ccc(CNC(=O)[C@H](C)CN3CCOCC3)cc12.
What is the InChIKey of (2R)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-methyl-3-morpholin-4-ylpropanamide?
The InChIKey is OOSNBQHZAURYTE-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-16(15-28-9-11-30-12-10-28)24(29)26-14-18-3-8-22-21(13-18)17(2)23(27-22)19-4-6-20(25)7-5-19/h3-8,13,16,27H,9-12,14-15H2,1-2H3,(H,26,29)/t16-/m1/s1.
What are the key properties of (2R)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-methyl-3-morpholin-4-ylpropanamide?
(2R)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-methyl-3-morpholin-4-ylpropanamide has a molecular weight of 409.51 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-methyl-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 96574491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).