N-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(2-hydroxypropan-2-yl)indol-5-yl]acetamide

C16H21FN2O4 — CID 121372193

IUPACN-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(2-hydroxypropan-2-yl)indol-5-yl]acetamide
SMILESCC(=O)Nc1cc2cc(C(C)(C)O)n(C[C@@H](O)CO)c2cc1F
InChIInChI=1S/C16H21FN2O4/c1-9(21)18-13-4-10-5-15(16(2,3)23)19(7-11(22)8-20)14(10)6-12(13)17/h4-6,11,20,22-23H,7-8H2,1-3H3,(H,18,21)/t11-/m1/s1
InChIKeyJHJPLJRYIXVTGH-LLVKDONJSA-N
MW324.35 g/mol
LogP1.32
Rot. Bonds5

About N-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(2-hydroxypropan-2-yl)indol-5-yl]acetamide

N-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(2-hydroxypropan-2-yl)indol-5-yl]acetamide (PubChem CID 121372193) has the molecular formula C16H21FN2O4 and a molecular weight of 324.35 g/mol. Its IUPAC name is N-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(2-hydroxypropan-2-yl)indol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(2-hydroxypropan-2-yl)indol-5-yl]acetamide
PubChem CID121372193
Molecular FormulaC16H21FN2O4
Molecular Weight324.35 g/mol
Exact Mass324.15
IUPAC NameN-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(2-hydroxypropan-2-yl)indol-5-yl]acetamide
SMILESCC(=O)Nc1cc2cc(C(C)(C)O)n(C[C@@H](O)CO)c2cc1F
InChIInChI=1S/C16H21FN2O4/c1-9(21)18-13-4-10-5-15(16(2,3)23)19(7-11(22)8-20)14(10)6-12(13)17/h4-6,11,20,22-23H,7-8H2,1-3H3,(H,18,21)/t11-/m1/s1
InChIKeyJHJPLJRYIXVTGH-LLVKDONJSA-N
XLogP1.32
TPSA94.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(2-hydroxypropan-2-yl)indol-5-yl]acetamide?
The IUPAC name of N-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(2-hydroxypropan-2-yl)indol-5-yl]acetamide (CID 121372193) is N-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(2-hydroxypropan-2-yl)indol-5-yl]acetamide.
What is the SMILES notation for N-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(2-hydroxypropan-2-yl)indol-5-yl]acetamide?
The canonical SMILES for N-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(2-hydroxypropan-2-yl)indol-5-yl]acetamide is CC(=O)Nc1cc2cc(C(C)(C)O)n(C[C@@H](O)CO)c2cc1F.
What is the InChIKey of N-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(2-hydroxypropan-2-yl)indol-5-yl]acetamide?
The InChIKey is JHJPLJRYIXVTGH-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21FN2O4/c1-9(21)18-13-4-10-5-15(16(2,3)23)19(7-11(22)8-20)14(10)6-12(13)17/h4-6,11,20,22-23H,7-8H2,1-3H3,(H,18,21)/t11-/m1/s1.
What are the key properties of N-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(2-hydroxypropan-2-yl)indol-5-yl]acetamide?
N-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(2-hydroxypropan-2-yl)indol-5-yl]acetamide has a molecular weight of 324.35 g/mol, XLogP of 1.32, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(2-hydroxypropan-2-yl)indol-5-yl]acetamide is sourced from PubChem (CID 121372193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).