5-(2,6-dichloro-4-nitrophenoxy)-4-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one

C17H11Cl2FN2O4 — CID 163293831

IUPAC5-(2,6-dichloro-4-nitrophenoxy)-4-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one
SMILESO=C1Nc2ccc(Oc3c(Cl)cc([N+](=O)[O-])cc3Cl)c(F)c2C12CCC2
InChIInChI=1S/C17H11Cl2FN2O4/c18-9-6-8(22(24)25)7-10(19)15(9)26-12-3-2-11-13(14(12)20)17(4-1-5-17)16(23)21-11/h2-3,6-7H,1,4-5H2,(H,21,23)
InChIKeyFYXRVXAZHAEAQZ-UHFFFAOYSA-N
MW397.19 g/mol
LogP5.21
Rot. Bonds3

About 5-(2,6-dichloro-4-nitrophenoxy)-4-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one

5-(2,6-dichloro-4-nitrophenoxy)-4-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one (PubChem CID 163293831) has the molecular formula C17H11Cl2FN2O4 and a molecular weight of 397.19 g/mol. Its IUPAC name is 5-(2,6-dichloro-4-nitrophenoxy)-4-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one.

Molecular Properties

Compound Name5-(2,6-dichloro-4-nitrophenoxy)-4-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one
PubChem CID163293831
Molecular FormulaC17H11Cl2FN2O4
Molecular Weight397.19 g/mol
Exact Mass396.01
IUPAC Name5-(2,6-dichloro-4-nitrophenoxy)-4-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one
SMILESO=C1Nc2ccc(Oc3c(Cl)cc([N+](=O)[O-])cc3Cl)c(F)c2C12CCC2
InChIInChI=1S/C17H11Cl2FN2O4/c18-9-6-8(22(24)25)7-10(19)15(9)26-12-3-2-11-13(14(12)20)17(4-1-5-17)16(23)21-11/h2-3,6-7H,1,4-5H2,(H,21,23)
InChIKeyFYXRVXAZHAEAQZ-UHFFFAOYSA-N
XLogP5.21
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.19
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(2,6-dichloro-4-nitrophenoxy)-4-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-amino-2,6-dichlorophenoxy)-4-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
CID 163293623
2-[3,5-dichloro-4-(4-fluoro-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)oxyphenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile
CID 163293756
4-(2,6-dichloro-4-nitrophenoxy)-3-fluorobenzaldehyde
CID 62098122
CID 163293629
CID 163293629
1,3-dichloro-2-[4-(chloromethyl)-2-fluorophenoxy]-5-nitrobenzene
CID 63565721
1,3-dichloro-2-[2-(chloromethyl)-4-fluorophenoxy]-5-nitrobenzene
CID 63565898
4-(2,6-dichloro-4-nitrophenoxy)-5,8-difluoro-2H-phthalazin-1-one
CID 169146559
1,3-dichloro-2-(2-chloro-4-nitrophenoxy)benzene
CID 2794565
1,3-dichloro-2-[5-(chloromethyl)-2-methylphenoxy]-5-nitrobenzene
CID 105406068
2-[4-(bromomethyl)-2-chlorophenoxy]-1,3-dichloro-5-nitrobenzene
CID 107088251
2-(2-bromo-4-methoxyphenoxy)-1,3-dichloro-5-nitrobenzene
CID 106891273
1-(2,6-dichloro-4-nitrophenyl)cyclopropane-1-carbaldehyde
CID 134179684

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichloro-4-nitrophenoxy)-4-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one?
The IUPAC name of 5-(2,6-dichloro-4-nitrophenoxy)-4-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one (CID 163293831) is 5-(2,6-dichloro-4-nitrophenoxy)-4-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one.
What is the SMILES notation for 5-(2,6-dichloro-4-nitrophenoxy)-4-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one?
The canonical SMILES for 5-(2,6-dichloro-4-nitrophenoxy)-4-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one is O=C1Nc2ccc(Oc3c(Cl)cc([N+](=O)[O-])cc3Cl)c(F)c2C12CCC2.
What is the InChIKey of 5-(2,6-dichloro-4-nitrophenoxy)-4-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one?
The InChIKey is FYXRVXAZHAEAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2FN2O4/c18-9-6-8(22(24)25)7-10(19)15(9)26-12-3-2-11-13(14(12)20)17(4-1-5-17)16(23)21-11/h2-3,6-7H,1,4-5H2,(H,21,23).
What are the key properties of 5-(2,6-dichloro-4-nitrophenoxy)-4-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one?
5-(2,6-dichloro-4-nitrophenoxy)-4-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one has a molecular weight of 397.19 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichloro-4-nitrophenoxy)-4-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one is sourced from PubChem (CID 163293831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).