N-[1'-[(2,4-difluorophenyl)methyl]-8-methoxy-3',3'-dimethylspiro[chromene-2,2'-indole]-6-yl]-N-oxidohydroxylamine

C26H23F2N2O4- — CID 143966672

IUPACN-[1'-[(2,4-difluorophenyl)methyl]-8-methoxy-3',3'-dimethylspiro[chromene-2,2'-indole]-6-yl]-N-oxidohydroxylamine
SMILESCOc1cc(N([O-])O)cc2c1OC1(C=C2)N(Cc2ccc(F)cc2F)c2ccccc2C1(C)C
InChIInChI=1S/C26H23F2N2O4/c1-25(2)20-6-4-5-7-22(20)29(15-17-8-9-18(27)13-21(17)28)26(25)11-10-16-12-19(30(31)32)14-23(33-3)24(16)34-26/h4-14,31H,15H2,1-3H3/q-1
InChIKeyKJCJCWAEHNYWGY-UHFFFAOYSA-N
MW465.48 g/mol
LogP5.77
Rot. Bonds4

About N-[1'-[(2,4-difluorophenyl)methyl]-8-methoxy-3',3'-dimethylspiro[chromene-2,2'-indole]-6-yl]-N-oxidohydroxylamine

N-[1'-[(2,4-difluorophenyl)methyl]-8-methoxy-3',3'-dimethylspiro[chromene-2,2'-indole]-6-yl]-N-oxidohydroxylamine (PubChem CID 143966672) has the molecular formula C26H23F2N2O4- and a molecular weight of 465.48 g/mol. Its IUPAC name is N-[1'-[(2,4-difluorophenyl)methyl]-8-methoxy-3',3'-dimethylspiro[chromene-2,2'-indole]-6-yl]-N-oxidohydroxylamine.

Molecular Properties

Compound NameN-[1'-[(2,4-difluorophenyl)methyl]-8-methoxy-3',3'-dimethylspiro[chromene-2,2'-indole]-6-yl]-N-oxidohydroxylamine
PubChem CID143966672
Molecular FormulaC26H23F2N2O4-
Molecular Weight465.48 g/mol
Exact Mass465.16
IUPAC NameN-[1'-[(2,4-difluorophenyl)methyl]-8-methoxy-3',3'-dimethylspiro[chromene-2,2'-indole]-6-yl]-N-oxidohydroxylamine
SMILESCOc1cc(N([O-])O)cc2c1OC1(C=C2)N(Cc2ccc(F)cc2F)c2ccccc2C1(C)C
InChIInChI=1S/C26H23F2N2O4/c1-25(2)20-6-4-5-7-22(20)29(15-17-8-9-18(27)13-21(17)28)26(25)11-10-16-12-19(30(31)32)14-23(33-3)24(16)34-26/h4-14,31H,15H2,1-3H3/q-1
InChIKeyKJCJCWAEHNYWGY-UHFFFAOYSA-N
XLogP5.77
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.48
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[1'-[(2,4-difluorophenyl)methyl]-8-methoxy-3',3'-dimethylspiro[chromene-2,2'-indole]-6-yl]-N-oxidohydroxylamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1'-[(2,4-difluorophenyl)methyl]-8-methoxy-3',3'-dimethylspiro[chromene-2,2'-indole]-6-yl]-N-oxidohydroxylamine?
The IUPAC name of N-[1'-[(2,4-difluorophenyl)methyl]-8-methoxy-3',3'-dimethylspiro[chromene-2,2'-indole]-6-yl]-N-oxidohydroxylamine (CID 143966672) is N-[1'-[(2,4-difluorophenyl)methyl]-8-methoxy-3',3'-dimethylspiro[chromene-2,2'-indole]-6-yl]-N-oxidohydroxylamine.
What is the SMILES notation for N-[1'-[(2,4-difluorophenyl)methyl]-8-methoxy-3',3'-dimethylspiro[chromene-2,2'-indole]-6-yl]-N-oxidohydroxylamine?
The canonical SMILES for N-[1'-[(2,4-difluorophenyl)methyl]-8-methoxy-3',3'-dimethylspiro[chromene-2,2'-indole]-6-yl]-N-oxidohydroxylamine is COc1cc(N([O-])O)cc2c1OC1(C=C2)N(Cc2ccc(F)cc2F)c2ccccc2C1(C)C.
What is the InChIKey of N-[1'-[(2,4-difluorophenyl)methyl]-8-methoxy-3',3'-dimethylspiro[chromene-2,2'-indole]-6-yl]-N-oxidohydroxylamine?
The InChIKey is KJCJCWAEHNYWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N2O4/c1-25(2)20-6-4-5-7-22(20)29(15-17-8-9-18(27)13-21(17)28)26(25)11-10-16-12-19(30(31)32)14-23(33-3)24(16)34-26/h4-14,31H,15H2,1-3H3/q-1.
What are the key properties of N-[1'-[(2,4-difluorophenyl)methyl]-8-methoxy-3',3'-dimethylspiro[chromene-2,2'-indole]-6-yl]-N-oxidohydroxylamine?
N-[1'-[(2,4-difluorophenyl)methyl]-8-methoxy-3',3'-dimethylspiro[chromene-2,2'-indole]-6-yl]-N-oxidohydroxylamine has a molecular weight of 465.48 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1'-[(2,4-difluorophenyl)methyl]-8-methoxy-3',3'-dimethylspiro[chromene-2,2'-indole]-6-yl]-N-oxidohydroxylamine is sourced from PubChem (CID 143966672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).