5-(4-amino-2,6-dichlorophenoxy)-4-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one

C16H11Cl2FN2O2 — CID 163293623

IUPAC5-(4-amino-2,6-dichlorophenoxy)-4-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESNc1cc(Cl)c(Oc2ccc3c(c2F)C2(CC2)C(=O)N3)c(Cl)c1
InChIInChI=1S/C16H11Cl2FN2O2/c17-8-5-7(20)6-9(18)14(8)23-11-2-1-10-12(13(11)19)16(3-4-16)15(22)21-10/h1-2,5-6H,3-4,20H2,(H,21,22)
InChIKeyDQYROMIKZUEDRV-UHFFFAOYSA-N
MW353.18 g/mol
LogP4.49
Rot. Bonds2

About 5-(4-amino-2,6-dichlorophenoxy)-4-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one

5-(4-amino-2,6-dichlorophenoxy)-4-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 163293623) has the molecular formula C16H11Cl2FN2O2 and a molecular weight of 353.18 g/mol. Its IUPAC name is 5-(4-amino-2,6-dichlorophenoxy)-4-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name5-(4-amino-2,6-dichlorophenoxy)-4-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID163293623
Molecular FormulaC16H11Cl2FN2O2
Molecular Weight353.18 g/mol
Exact Mass352.02
IUPAC Name5-(4-amino-2,6-dichlorophenoxy)-4-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESNc1cc(Cl)c(Oc2ccc3c(c2F)C2(CC2)C(=O)N3)c(Cl)c1
InChIInChI=1S/C16H11Cl2FN2O2/c17-8-5-7(20)6-9(18)14(8)23-11-2-1-10-12(13(11)19)16(3-4-16)15(22)21-10/h1-2,5-6H,3-4,20H2,(H,21,22)
InChIKeyDQYROMIKZUEDRV-UHFFFAOYSA-N
XLogP4.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2,6-dichlorophenoxy)-4-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of 5-(4-amino-2,6-dichlorophenoxy)-4-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one (CID 163293623) is 5-(4-amino-2,6-dichlorophenoxy)-4-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 5-(4-amino-2,6-dichlorophenoxy)-4-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for 5-(4-amino-2,6-dichlorophenoxy)-4-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one is Nc1cc(Cl)c(Oc2ccc3c(c2F)C2(CC2)C(=O)N3)c(Cl)c1.
What is the InChIKey of 5-(4-amino-2,6-dichlorophenoxy)-4-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is DQYROMIKZUEDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN2O2/c17-8-5-7(20)6-9(18)14(8)23-11-2-1-10-12(13(11)19)16(3-4-16)15(22)21-10/h1-2,5-6H,3-4,20H2,(H,21,22).
What are the key properties of 5-(4-amino-2,6-dichlorophenoxy)-4-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one?
5-(4-amino-2,6-dichlorophenoxy)-4-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 353.18 g/mol, XLogP of 4.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2,6-dichlorophenoxy)-4-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 163293623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).