N-[6,8-difluoro-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(1-fluorocyclopropyl)acetamide

C20H18F4N2O — CID 177096191

IUPACN-[6,8-difluoro-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(1-fluorocyclopropyl)acetamide
SMILESO=C(CC1(F)CC1)Nc1c(F)cc2c(c1F)CN(c1ccc(F)cc1)CC2
InChIInChI=1S/C20H18F4N2O/c21-13-1-3-14(4-2-13)26-8-5-12-9-16(22)19(18(23)15(12)11-26)25-17(27)10-20(24)6-7-20/h1-4,9H,5-8,10-11H2,(H,25,27)
InChIKeyYBWJFPKMLIFIQY-UHFFFAOYSA-N
MW378.37 g/mol
LogP4.50
Rot. Bonds4

About N-[6,8-difluoro-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(1-fluorocyclopropyl)acetamide

N-[6,8-difluoro-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(1-fluorocyclopropyl)acetamide (PubChem CID 177096191) has the molecular formula C20H18F4N2O and a molecular weight of 378.37 g/mol. Its IUPAC name is N-[6,8-difluoro-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(1-fluorocyclopropyl)acetamide.

Molecular Properties

Compound NameN-[6,8-difluoro-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(1-fluorocyclopropyl)acetamide
PubChem CID177096191
Molecular FormulaC20H18F4N2O
Molecular Weight378.37 g/mol
Exact Mass378.14
IUPAC NameN-[6,8-difluoro-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(1-fluorocyclopropyl)acetamide
SMILESO=C(CC1(F)CC1)Nc1c(F)cc2c(c1F)CN(c1ccc(F)cc1)CC2
InChIInChI=1S/C20H18F4N2O/c21-13-1-3-14(4-2-13)26-8-5-12-9-16(22)19(18(23)15(12)11-26)25-17(27)10-20(24)6-7-20/h1-4,9H,5-8,10-11H2,(H,25,27)
InChIKeyYBWJFPKMLIFIQY-UHFFFAOYSA-N
XLogP4.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-difluorophenyl)-6,8-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-(1-fluorocyclopropyl)acetamide
CID 177096222
2-(1-fluorocyclopropyl)-N-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-dimethylphenyl]acetamide
CID 176738439
N-[6,8-dichloro-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(3,3-difluorocyclobutyl)acetamide
CID 177096291
N-[2,6-dichloro-4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-2-(3,3-difluorocyclobutyl)acetamide
CID 176738379
N-[6,8-dichloro-2-(4-fluorophenyl)-1,3,4,5-tetrahydro-2-benzazepin-7-yl]-2-(3,3-difluorocyclobutyl)acetamide
CID 177096244
N-[3,5-difluoro-4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-dimethylphenyl]propanamide
CID 158935251
N-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-bis(trihydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 176950568
CID 176950572
CID 176950572
1-(4-fluorophenyl)pyrrolidin-3-one
CID 23052703
N-[2-chloro-4-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-6-methylphenyl]-3,3-dimethylbutanamide
CID 24937204
N-(3-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 981650
N-[3,5-difluoro-4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-dimethylphenyl]hexanamide
CID 138712461

Frequently Asked Questions

What is the IUPAC name of N-[6,8-difluoro-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(1-fluorocyclopropyl)acetamide?
The IUPAC name of N-[6,8-difluoro-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(1-fluorocyclopropyl)acetamide (CID 177096191) is N-[6,8-difluoro-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(1-fluorocyclopropyl)acetamide.
What is the SMILES notation for N-[6,8-difluoro-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(1-fluorocyclopropyl)acetamide?
The canonical SMILES for N-[6,8-difluoro-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(1-fluorocyclopropyl)acetamide is O=C(CC1(F)CC1)Nc1c(F)cc2c(c1F)CN(c1ccc(F)cc1)CC2.
What is the InChIKey of N-[6,8-difluoro-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(1-fluorocyclopropyl)acetamide?
The InChIKey is YBWJFPKMLIFIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N2O/c21-13-1-3-14(4-2-13)26-8-5-12-9-16(22)19(18(23)15(12)11-26)25-17(27)10-20(24)6-7-20/h1-4,9H,5-8,10-11H2,(H,25,27).
What are the key properties of N-[6,8-difluoro-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(1-fluorocyclopropyl)acetamide?
N-[6,8-difluoro-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(1-fluorocyclopropyl)acetamide has a molecular weight of 378.37 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,8-difluoro-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(1-fluorocyclopropyl)acetamide is sourced from PubChem (CID 177096191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).