(6'-bromo-7,8-difluorospiro[2,5-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-ylidene)cyanamide

C19H13BrF2N2 — CID 90804440

IUPAC(6'-bromo-7,8-difluorospiro[2,5-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-ylidene)cyanamide
SMILESN#C/N=C1\c2cc(Br)ccc2CC12C=C1CC=C(F)C(F)=C1CC2
InChIInChI=1S/C19H13BrF2N2/c20-13-3-1-12-9-19(18(24-10-23)15(12)7-13)6-5-14-11(8-19)2-4-16(21)17(14)22/h1,3-4,7-8H,2,5-6,9H2/b24-18+
InChIKeyZSTLKVOKOAULAE-HKOYGPOVSA-N
MW387.23 g/mol
LogP5.46
Rot. Bonds

About (6'-bromo-7,8-difluorospiro[2,5-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-ylidene)cyanamide

(6'-bromo-7,8-difluorospiro[2,5-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-ylidene)cyanamide (PubChem CID 90804440) has the molecular formula C19H13BrF2N2 and a molecular weight of 387.23 g/mol. Its IUPAC name is (6'-bromo-7,8-difluorospiro[2,5-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-ylidene)cyanamide.

Molecular Properties

Compound Name(6'-bromo-7,8-difluorospiro[2,5-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-ylidene)cyanamide
PubChem CID90804440
Molecular FormulaC19H13BrF2N2
Molecular Weight387.23 g/mol
Exact Mass386.02
IUPAC Name(6'-bromo-7,8-difluorospiro[2,5-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-ylidene)cyanamide
SMILESN#C/N=C1\c2cc(Br)ccc2CC12C=C1CC=C(F)C(F)=C1CC2
InChIInChI=1S/C19H13BrF2N2/c20-13-3-1-12-9-19(18(24-10-23)15(12)7-13)6-5-14-11(8-19)2-4-16(21)17(14)22/h1,3-4,7-8H,2,5-6,9H2/b24-18+
InChIKeyZSTLKVOKOAULAE-HKOYGPOVSA-N
XLogP5.46
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.23
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (6'-bromo-7,8-difluorospiro[2,5-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-ylidene)cyanamide 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 (6'-bromo-7,8-difluorospiro[2,5-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-ylidene)cyanamide?
The IUPAC name of (6'-bromo-7,8-difluorospiro[2,5-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-ylidene)cyanamide (CID 90804440) is (6'-bromo-7,8-difluorospiro[2,5-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-ylidene)cyanamide.
What is the SMILES notation for (6'-bromo-7,8-difluorospiro[2,5-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-ylidene)cyanamide?
The canonical SMILES for (6'-bromo-7,8-difluorospiro[2,5-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-ylidene)cyanamide is N#C/N=C1\c2cc(Br)ccc2CC12C=C1CC=C(F)C(F)=C1CC2.
What is the InChIKey of (6'-bromo-7,8-difluorospiro[2,5-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-ylidene)cyanamide?
The InChIKey is ZSTLKVOKOAULAE-HKOYGPOVSA-N. The full InChI is InChI=1S/C19H13BrF2N2/c20-13-3-1-12-9-19(18(24-10-23)15(12)7-13)6-5-14-11(8-19)2-4-16(21)17(14)22/h1,3-4,7-8H,2,5-6,9H2/b24-18+.
What are the key properties of (6'-bromo-7,8-difluorospiro[2,5-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-ylidene)cyanamide?
(6'-bromo-7,8-difluorospiro[2,5-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-ylidene)cyanamide has a molecular weight of 387.23 g/mol, XLogP of 5.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6'-bromo-7,8-difluorospiro[2,5-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-ylidene)cyanamide is sourced from PubChem (CID 90804440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).