2-(1-ethylindol-3-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]acetamide

C21H23FN2O2 — CID 71846285

IUPAC2-(1-ethylindol-3-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]acetamide
SMILESCCn1cc(CC(=O)NC(C)C(O)c2cccc(F)c2)c2ccccc21
InChIInChI=1S/C21H23FN2O2/c1-3-24-13-16(18-9-4-5-10-19(18)24)12-20(25)23-14(2)21(26)15-7-6-8-17(22)11-15/h4-11,13-14,21,26H,3,12H2,1-2H3,(H,23,25)
InChIKeyOCXKRRFRGLZPED-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.58
Rot. Bonds6

About 2-(1-ethylindol-3-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]acetamide

2-(1-ethylindol-3-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]acetamide (PubChem CID 71846285) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-(1-ethylindol-3-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(1-ethylindol-3-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]acetamide
PubChem CID71846285
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name2-(1-ethylindol-3-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]acetamide
SMILESCCn1cc(CC(=O)NC(C)C(O)c2cccc(F)c2)c2ccccc21
InChIInChI=1S/C21H23FN2O2/c1-3-24-13-16(18-9-4-5-10-19(18)24)12-20(25)23-14(2)21(26)15-7-6-8-17(22)11-15/h4-11,13-14,21,26H,3,12H2,1-2H3,(H,23,25)
InChIKeyOCXKRRFRGLZPED-UHFFFAOYSA-N
XLogP3.58
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(1-ethylindol-3-yl)acetyl]amino]propanoic acid
CID 119244285
3-[[2-(1-ethylindol-3-yl)acetyl]amino]-2-methyl-3-phenylpropanoic acid
CID 119218961
3-(1-ethylindol-3-yl)-3-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 42801362
N-[(2S)-4-(1-ethylindol-3-yl)butan-2-yl]-4-fluorobenzamide
CID 2717035
4-(1-ethylindol-3-yl)-N-[(4-fluorophenyl)methyl]butanamide
CID 22522951
N-(1,1-diphenylpropan-2-yl)-2-(3-fluorophenyl)acetamide
CID 46436394
N-butan-2-yl-4-(1-ethylindol-3-yl)butanamide
CID 22522937
2-(1-ethylindol-3-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
CID 4649358
2-[1-(3-fluorophenyl)ethylamino]-N-(3-methylbutan-2-yl)acetamide
CID 60694421
N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
CID 81366054
2-(1-methylindol-3-yl)-N-propan-2-ylacetamide
CID 13010552
2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-methylacetamide
CID 41109122

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylindol-3-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]acetamide?
The IUPAC name of 2-(1-ethylindol-3-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]acetamide (CID 71846285) is 2-(1-ethylindol-3-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]acetamide.
What is the SMILES notation for 2-(1-ethylindol-3-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]acetamide?
The canonical SMILES for 2-(1-ethylindol-3-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]acetamide is CCn1cc(CC(=O)NC(C)C(O)c2cccc(F)c2)c2ccccc21.
What is the InChIKey of 2-(1-ethylindol-3-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]acetamide?
The InChIKey is OCXKRRFRGLZPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-3-24-13-16(18-9-4-5-10-19(18)24)12-20(25)23-14(2)21(26)15-7-6-8-17(22)11-15/h4-11,13-14,21,26H,3,12H2,1-2H3,(H,23,25).
What are the key properties of 2-(1-ethylindol-3-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]acetamide?
2-(1-ethylindol-3-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]acetamide has a molecular weight of 354.43 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylindol-3-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]acetamide is sourced from PubChem (CID 71846285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).