N-[4-[3-(2,3-dihydro-1H-indol-5-yl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide

C22H19FN2O2 — CID 166165723

IUPACN-[4-[3-(2,3-dihydro-1H-indol-5-yl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3ccc4c(c3)CCN4)c2O)cc1F
InChIInChI=1S/C22H19FN2O2/c1-13(26)25-21-8-6-15(12-19(21)23)18-4-2-3-17(22(18)27)14-5-7-20-16(11-14)9-10-24-20/h2-8,11-12,24,27H,9-10H2,1H3,(H,25,26)
InChIKeyBSETXSQNESZIEP-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.79
Rot. Bonds3

About N-[4-[3-(2,3-dihydro-1H-indol-5-yl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide

N-[4-[3-(2,3-dihydro-1H-indol-5-yl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide (PubChem CID 166165723) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is N-[4-[3-(2,3-dihydro-1H-indol-5-yl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(2,3-dihydro-1H-indol-5-yl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide
PubChem CID166165723
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC NameN-[4-[3-(2,3-dihydro-1H-indol-5-yl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3ccc4c(c3)CCN4)c2O)cc1F
InChIInChI=1S/C22H19FN2O2/c1-13(26)25-21-8-6-15(12-19(21)23)18-4-2-3-17(22(18)27)14-5-7-20-16(11-14)9-10-24-20/h2-8,11-12,24,27H,9-10H2,1H3,(H,25,26)
InChIKeyBSETXSQNESZIEP-UHFFFAOYSA-N
XLogP4.79
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2,3-dihydro-1H-indol-5-yl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide?
The IUPAC name of N-[4-[3-(2,3-dihydro-1H-indol-5-yl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide (CID 166165723) is N-[4-[3-(2,3-dihydro-1H-indol-5-yl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[4-[3-(2,3-dihydro-1H-indol-5-yl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[4-[3-(2,3-dihydro-1H-indol-5-yl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide is CC(=O)Nc1ccc(-c2cccc(-c3ccc4c(c3)CCN4)c2O)cc1F.
What is the InChIKey of N-[4-[3-(2,3-dihydro-1H-indol-5-yl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide?
The InChIKey is BSETXSQNESZIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2/c1-13(26)25-21-8-6-15(12-19(21)23)18-4-2-3-17(22(18)27)14-5-7-20-16(11-14)9-10-24-20/h2-8,11-12,24,27H,9-10H2,1H3,(H,25,26).
What are the key properties of N-[4-[3-(2,3-dihydro-1H-indol-5-yl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide?
N-[4-[3-(2,3-dihydro-1H-indol-5-yl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide has a molecular weight of 362.40 g/mol, XLogP of 4.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2,3-dihydro-1H-indol-5-yl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide is sourced from PubChem (CID 166165723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).