3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide

C21H22F2N2O2 — CID 26011121

IUPAC3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide
SMILESCOC[C@@H](C)NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12
InChIInChI=1S/C21H22F2N2O2/c1-13(12-27-2)24-20(26)10-8-17-18-11-16(23)7-9-19(18)25-21(17)14-3-5-15(22)6-4-14/h3-7,9,11,13,25H,8,10,12H2,1-2H3,(H,24,26)/t13-/m1/s1
InChIKeyLBRWEJIVIMKDFY-CYBMUJFWSA-N
MW372.42 g/mol
LogP4.20
Rot. Bonds7

About 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide

3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide (PubChem CID 26011121) has the molecular formula C21H22F2N2O2 and a molecular weight of 372.42 g/mol. Its IUPAC name is 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide.

Molecular Properties

Compound Name3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide
PubChem CID26011121
Molecular FormulaC21H22F2N2O2
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide
SMILESCOC[C@@H](C)NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12
InChIInChI=1S/C21H22F2N2O2/c1-13(12-27-2)24-20(26)10-8-17-18-11-16(23)7-9-19(18)25-21(17)14-3-5-15(22)6-4-14/h3-7,9,11,13,25H,8,10,12H2,1-2H3,(H,24,26)/t13-/m1/s1
InChIKeyLBRWEJIVIMKDFY-CYBMUJFWSA-N
XLogP4.20
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2S)-1-hydroxypropan-2-yl]propanamide
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3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[3-(2-methoxyethoxy)propyl]propanamide
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3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1S)-1-(furan-2-yl)ethyl]propanamide
CID 8528835
N-butan-2-yl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 55412331
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-propan-2-ylpropanamide
CID 51229084
2-[3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylpropanamide
CID 166886005
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 17392425
N-[2-(diethylamino)ethyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 8865731
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 166586041
2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl N-[(2S)-1-methoxypropan-2-yl]carbamate
CID 166585741
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide?
The IUPAC name of 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide (CID 26011121) is 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide.
What is the SMILES notation for 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide?
The canonical SMILES for 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide is COC[C@@H](C)NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12.
What is the InChIKey of 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide?
The InChIKey is LBRWEJIVIMKDFY-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H22F2N2O2/c1-13(12-27-2)24-20(26)10-8-17-18-11-16(23)7-9-19(18)25-21(17)14-3-5-15(22)6-4-14/h3-7,9,11,13,25H,8,10,12H2,1-2H3,(H,24,26)/t13-/m1/s1.
What are the key properties of 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide?
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide has a molecular weight of 372.42 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide is sourced from PubChem (CID 26011121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).