2-[1',1'-difluoro-6-(1-fluorocyclopropyl)-1-oxospiro[3H-isoquinoline-4,2'-cyclopropane]-2-yl]acetamide

C16H15F3N2O2 — CID 169212351

IUPAC2-[1',1'-difluoro-6-(1-fluorocyclopropyl)-1-oxospiro[3H-isoquinoline-4,2'-cyclopropane]-2-yl]acetamide
SMILESNC(=O)CN1CC2(CC2(F)F)c2cc(C3(F)CC3)ccc2C1=O
InChIInChI=1S/C16H15F3N2O2/c17-15(3-4-15)9-1-2-10-11(5-9)14(7-16(14,18)19)8-21(13(10)23)6-12(20)22/h1-2,5H,3-4,6-8H2,(H2,20,22)
InChIKeySTICMAIQRHHOEP-UHFFFAOYSA-N
MW324.30 g/mol
LogP1.86
Rot. Bonds3

About 2-[1',1'-difluoro-6-(1-fluorocyclopropyl)-1-oxospiro[3H-isoquinoline-4,2'-cyclopropane]-2-yl]acetamide

2-[1',1'-difluoro-6-(1-fluorocyclopropyl)-1-oxospiro[3H-isoquinoline-4,2'-cyclopropane]-2-yl]acetamide (PubChem CID 169212351) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 2-[1',1'-difluoro-6-(1-fluorocyclopropyl)-1-oxospiro[3H-isoquinoline-4,2'-cyclopropane]-2-yl]acetamide.

Molecular Properties

Compound Name2-[1',1'-difluoro-6-(1-fluorocyclopropyl)-1-oxospiro[3H-isoquinoline-4,2'-cyclopropane]-2-yl]acetamide
PubChem CID169212351
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name2-[1',1'-difluoro-6-(1-fluorocyclopropyl)-1-oxospiro[3H-isoquinoline-4,2'-cyclopropane]-2-yl]acetamide
SMILESNC(=O)CN1CC2(CC2(F)F)c2cc(C3(F)CC3)ccc2C1=O
InChIInChI=1S/C16H15F3N2O2/c17-15(3-4-15)9-1-2-10-11(5-9)14(7-16(14,18)19)8-21(13(10)23)6-12(20)22/h1-2,5H,3-4,6-8H2,(H2,20,22)
InChIKeySTICMAIQRHHOEP-UHFFFAOYSA-N
XLogP1.86
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1',1'-difluoro-6-(1-fluorocyclopropyl)-1-oxospiro[3H-isoquinoline-4,2'-cyclopropane]-2-yl]acetamide 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

2-[1',1'-difluoro-6-(1-fluorocyclopropyl)-1-oxospiro[3H-isoquinoline-4,2'-cyclopropane]-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
CID 169212134
methyl 2-(6-cyclopropyl-1',1'-difluoro-1-oxospiro[3H-isoquinoline-4,2'-cyclopropane]-2-yl)acetate
CID 169212371
2-[1',1'-difluoro-1-oxo-6-(trifluoromethyl)spiro[3H-isoquinoline-4,2'-cyclopropane]-2-yl]-N-(3-hydroxycyclobutyl)acetamide;ethane
CID 169212178
2-[(2'S,4S)-2'-fluoro-6-(1-fluorocyclopropyl)-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 169212157
2-[(2'R,4R)-2'-fluoro-6-(1-fluorocyclopropyl)-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 169212081
2-(6-bromo-1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide
CID 163371643
2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-fluoroacetamide
CID 163371937
methyl 2-[6-(1,1-difluoroethyl)-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl]acetate
CID 163371462
2-[6-(1-fluoroethyl)-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl]acetic acid
CID 163371812
methyl 2-(6-ethenyl-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)acetate
CID 163371504
2-[(4S)-6-bromo-1',1',5-trifluoro-1-oxospiro[3H-isoquinoline-4,2'-cyclopropane]-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
CID 163371330
ethyl 2-[4-bromo-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]acetate
CID 162364102

Frequently Asked Questions

What is the IUPAC name of 2-[1',1'-difluoro-6-(1-fluorocyclopropyl)-1-oxospiro[3H-isoquinoline-4,2'-cyclopropane]-2-yl]acetamide?
The IUPAC name of 2-[1',1'-difluoro-6-(1-fluorocyclopropyl)-1-oxospiro[3H-isoquinoline-4,2'-cyclopropane]-2-yl]acetamide (CID 169212351) is 2-[1',1'-difluoro-6-(1-fluorocyclopropyl)-1-oxospiro[3H-isoquinoline-4,2'-cyclopropane]-2-yl]acetamide.
What is the SMILES notation for 2-[1',1'-difluoro-6-(1-fluorocyclopropyl)-1-oxospiro[3H-isoquinoline-4,2'-cyclopropane]-2-yl]acetamide?
The canonical SMILES for 2-[1',1'-difluoro-6-(1-fluorocyclopropyl)-1-oxospiro[3H-isoquinoline-4,2'-cyclopropane]-2-yl]acetamide is NC(=O)CN1CC2(CC2(F)F)c2cc(C3(F)CC3)ccc2C1=O.
What is the InChIKey of 2-[1',1'-difluoro-6-(1-fluorocyclopropyl)-1-oxospiro[3H-isoquinoline-4,2'-cyclopropane]-2-yl]acetamide?
The InChIKey is STICMAIQRHHOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c17-15(3-4-15)9-1-2-10-11(5-9)14(7-16(14,18)19)8-21(13(10)23)6-12(20)22/h1-2,5H,3-4,6-8H2,(H2,20,22).
What are the key properties of 2-[1',1'-difluoro-6-(1-fluorocyclopropyl)-1-oxospiro[3H-isoquinoline-4,2'-cyclopropane]-2-yl]acetamide?
2-[1',1'-difluoro-6-(1-fluorocyclopropyl)-1-oxospiro[3H-isoquinoline-4,2'-cyclopropane]-2-yl]acetamide has a molecular weight of 324.30 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1',1'-difluoro-6-(1-fluorocyclopropyl)-1-oxospiro[3H-isoquinoline-4,2'-cyclopropane]-2-yl]acetamide is sourced from PubChem (CID 169212351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).