2-amino-5-chloro-3-(2-ethoxy-5-fluorophenyl)-1,2-dihydroindol-3-ol

C16H16ClFN2O2 — CID 86577054

IUPAC2-amino-5-chloro-3-(2-ethoxy-5-fluorophenyl)-1,2-dihydroindol-3-ol
SMILESCCOc1ccc(F)cc1C1(O)c2cc(Cl)ccc2NC1N
InChIInChI=1S/C16H16ClFN2O2/c1-2-22-14-6-4-10(18)8-12(14)16(21)11-7-9(17)3-5-13(11)20-15(16)19/h3-8,15,20-21H,2,19H2,1H3
InChIKeyODVMSBBOBVQBPD-UHFFFAOYSA-N
MW322.77 g/mol
LogP2.82
Rot. Bonds3

About 2-amino-5-chloro-3-(2-ethoxy-5-fluorophenyl)-1,2-dihydroindol-3-ol

2-amino-5-chloro-3-(2-ethoxy-5-fluorophenyl)-1,2-dihydroindol-3-ol (PubChem CID 86577054) has the molecular formula C16H16ClFN2O2 and a molecular weight of 322.77 g/mol. Its IUPAC name is 2-amino-5-chloro-3-(2-ethoxy-5-fluorophenyl)-1,2-dihydroindol-3-ol.

Molecular Properties

Compound Name2-amino-5-chloro-3-(2-ethoxy-5-fluorophenyl)-1,2-dihydroindol-3-ol
PubChem CID86577054
Molecular FormulaC16H16ClFN2O2
Molecular Weight322.77 g/mol
Exact Mass322.09
IUPAC Name2-amino-5-chloro-3-(2-ethoxy-5-fluorophenyl)-1,2-dihydroindol-3-ol
SMILESCCOc1ccc(F)cc1C1(O)c2cc(Cl)ccc2NC1N
InChIInChI=1S/C16H16ClFN2O2/c1-2-22-14-6-4-10(18)8-12(14)16(21)11-7-9(17)3-5-13(11)20-15(16)19/h3-8,15,20-21H,2,19H2,1H3
InChIKeyODVMSBBOBVQBPD-UHFFFAOYSA-N
XLogP2.82
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-3-(2-ethoxy-5-fluorophenyl)-1,2-dihydroindol-3-ol?
The IUPAC name of 2-amino-5-chloro-3-(2-ethoxy-5-fluorophenyl)-1,2-dihydroindol-3-ol (CID 86577054) is 2-amino-5-chloro-3-(2-ethoxy-5-fluorophenyl)-1,2-dihydroindol-3-ol.
What is the SMILES notation for 2-amino-5-chloro-3-(2-ethoxy-5-fluorophenyl)-1,2-dihydroindol-3-ol?
The canonical SMILES for 2-amino-5-chloro-3-(2-ethoxy-5-fluorophenyl)-1,2-dihydroindol-3-ol is CCOc1ccc(F)cc1C1(O)c2cc(Cl)ccc2NC1N.
What is the InChIKey of 2-amino-5-chloro-3-(2-ethoxy-5-fluorophenyl)-1,2-dihydroindol-3-ol?
The InChIKey is ODVMSBBOBVQBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O2/c1-2-22-14-6-4-10(18)8-12(14)16(21)11-7-9(17)3-5-13(11)20-15(16)19/h3-8,15,20-21H,2,19H2,1H3.
What are the key properties of 2-amino-5-chloro-3-(2-ethoxy-5-fluorophenyl)-1,2-dihydroindol-3-ol?
2-amino-5-chloro-3-(2-ethoxy-5-fluorophenyl)-1,2-dihydroindol-3-ol has a molecular weight of 322.77 g/mol, XLogP of 2.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-3-(2-ethoxy-5-fluorophenyl)-1,2-dihydroindol-3-ol is sourced from PubChem (CID 86577054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).