(2R)-N-(4-fluorophenyl)-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide

C26H22FN3O2 — CID 41168519

IUPAC(2R)-N-(4-fluorophenyl)-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccc(F)cc1)N1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12
InChIInChI=1S/C26H22FN3O2/c1-16(25(31)28-18-13-11-17(27)12-14-18)30-24(20-8-3-4-9-21(20)26(30)32)22-15-29(2)23-10-6-5-7-19(22)23/h3-16,24H,1-2H3,(H,28,31)/t16-,24-/m1/s1
InChIKeyOKHUIZGOHVROBC-VOIUYBSRSA-N
MW427.48 g/mol
LogP4.89
Rot. Bonds4

About (2R)-N-(4-fluorophenyl)-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide

(2R)-N-(4-fluorophenyl)-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide (PubChem CID 41168519) has the molecular formula C26H22FN3O2 and a molecular weight of 427.48 g/mol. Its IUPAC name is (2R)-N-(4-fluorophenyl)-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-fluorophenyl)-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide
PubChem CID41168519
Molecular FormulaC26H22FN3O2
Molecular Weight427.48 g/mol
Exact Mass427.17
IUPAC Name(2R)-N-(4-fluorophenyl)-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccc(F)cc1)N1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12
InChIInChI=1S/C26H22FN3O2/c1-16(25(31)28-18-13-11-17(27)12-14-18)30-24(20-8-3-4-9-21(20)26(30)32)22-15-29(2)23-10-6-5-7-19(22)23/h3-16,24H,1-2H3,(H,28,31)/t16-,24-/m1/s1
InChIKeyOKHUIZGOHVROBC-VOIUYBSRSA-N
XLogP4.89
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutyl)-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide
CID 3888160
3-fluoro-N'-[2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanoyl]benzohydrazide
CID 4043700
N-(4-methoxyphenyl)-4-methyl-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]pentanamide
CID 45133704
3-methyl-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(4-phenoxyphenyl)pentanamide
CID 3910004
(3S)-2-[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl]-3-(1-methylindol-3-yl)-3H-isoindol-1-one
CID 7345490
(3S)-3-(1-methylindol-3-yl)-2-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3H-isoindol-1-one
CID 41168520
N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]pentanamide
CID 5109693
ethyl 4-[[3-methyl-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]pentanoyl]amino]piperidine-1-carboxylate
CID 3541094
4-methyl-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-(3-phenylpropanoyl)pentanehydrazide
CID 4665380
3-(1-methylindol-3-yl)-2-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-3H-isoindol-1-one
CID 5131996
2-[1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-pyridin-3-ylpropanamide
CID 3902018
2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-phenylpropanehydrazide
CID 3991047

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-fluorophenyl)-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide?
The IUPAC name of (2R)-N-(4-fluorophenyl)-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide (CID 41168519) is (2R)-N-(4-fluorophenyl)-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide.
What is the SMILES notation for (2R)-N-(4-fluorophenyl)-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide?
The canonical SMILES for (2R)-N-(4-fluorophenyl)-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide is C[C@H](C(=O)Nc1ccc(F)cc1)N1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12.
What is the InChIKey of (2R)-N-(4-fluorophenyl)-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide?
The InChIKey is OKHUIZGOHVROBC-VOIUYBSRSA-N. The full InChI is InChI=1S/C26H22FN3O2/c1-16(25(31)28-18-13-11-17(27)12-14-18)30-24(20-8-3-4-9-21(20)26(30)32)22-15-29(2)23-10-6-5-7-19(22)23/h3-16,24H,1-2H3,(H,28,31)/t16-,24-/m1/s1.
What are the key properties of (2R)-N-(4-fluorophenyl)-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide?
(2R)-N-(4-fluorophenyl)-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide has a molecular weight of 427.48 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-fluorophenyl)-2-[(1R)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide is sourced from PubChem (CID 41168519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).