2-(2-bromophenoxy)-1-[6-(2,3-dihydro-1H-inden-2-ylamino)-3-pyridinyl]ethanone

C22H19BrN2O2 — CID 57403742

IUPAC2-(2-bromophenoxy)-1-[6-(2,3-dihydro-1H-inden-2-ylamino)-3-pyridinyl]ethanone
SMILESO=C(COc1ccccc1Br)c1ccc(NC2Cc3ccccc3C2)nc1
InChIInChI=1S/C22H19BrN2O2/c23-19-7-3-4-8-21(19)27-14-20(26)17-9-10-22(24-13-17)25-18-11-15-5-1-2-6-16(15)12-18/h1-10,13,18H,11-12,14H2,(H,24,25)
InChIKeyIZUANYIRMYTGKQ-UHFFFAOYSA-N
MW423.31 g/mol
LogP4.69
Rot. Bonds6

About 2-(2-bromophenoxy)-1-[6-(2,3-dihydro-1H-inden-2-ylamino)-3-pyridinyl]ethanone

2-(2-bromophenoxy)-1-[6-(2,3-dihydro-1H-inden-2-ylamino)-3-pyridinyl]ethanone (PubChem CID 57403742) has the molecular formula C22H19BrN2O2 and a molecular weight of 423.31 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-1-[6-(2,3-dihydro-1H-inden-2-ylamino)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name2-(2-bromophenoxy)-1-[6-(2,3-dihydro-1H-inden-2-ylamino)-3-pyridinyl]ethanone
PubChem CID57403742
Molecular FormulaC22H19BrN2O2
Molecular Weight423.31 g/mol
Exact Mass422.06
IUPAC Name2-(2-bromophenoxy)-1-[6-(2,3-dihydro-1H-inden-2-ylamino)-3-pyridinyl]ethanone
SMILESO=C(COc1ccccc1Br)c1ccc(NC2Cc3ccccc3C2)nc1
InChIInChI=1S/C22H19BrN2O2/c23-19-7-3-4-8-21(19)27-14-20(26)17-9-10-22(24-13-17)25-18-11-15-5-1-2-6-16(15)12-18/h1-10,13,18H,11-12,14H2,(H,24,25)
InChIKeyIZUANYIRMYTGKQ-UHFFFAOYSA-N
XLogP4.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.31
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-1-[6-(2,3-dihydro-1H-inden-2-ylamino)-3-pyridinyl]ethanone?
The IUPAC name of 2-(2-bromophenoxy)-1-[6-(2,3-dihydro-1H-inden-2-ylamino)-3-pyridinyl]ethanone (CID 57403742) is 2-(2-bromophenoxy)-1-[6-(2,3-dihydro-1H-inden-2-ylamino)-3-pyridinyl]ethanone.
What is the SMILES notation for 2-(2-bromophenoxy)-1-[6-(2,3-dihydro-1H-inden-2-ylamino)-3-pyridinyl]ethanone?
The canonical SMILES for 2-(2-bromophenoxy)-1-[6-(2,3-dihydro-1H-inden-2-ylamino)-3-pyridinyl]ethanone is O=C(COc1ccccc1Br)c1ccc(NC2Cc3ccccc3C2)nc1.
What is the InChIKey of 2-(2-bromophenoxy)-1-[6-(2,3-dihydro-1H-inden-2-ylamino)-3-pyridinyl]ethanone?
The InChIKey is IZUANYIRMYTGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O2/c23-19-7-3-4-8-21(19)27-14-20(26)17-9-10-22(24-13-17)25-18-11-15-5-1-2-6-16(15)12-18/h1-10,13,18H,11-12,14H2,(H,24,25).
What are the key properties of 2-(2-bromophenoxy)-1-[6-(2,3-dihydro-1H-inden-2-ylamino)-3-pyridinyl]ethanone?
2-(2-bromophenoxy)-1-[6-(2,3-dihydro-1H-inden-2-ylamino)-3-pyridinyl]ethanone has a molecular weight of 423.31 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-1-[6-(2,3-dihydro-1H-inden-2-ylamino)-3-pyridinyl]ethanone is sourced from PubChem (CID 57403742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).