2-(1-fluorocyclopropyl)-N-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-dimethylphenyl]acetamide

C22H24F2N2O — CID 176738439

IUPAC2-(1-fluorocyclopropyl)-N-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-dimethylphenyl]acetamide
SMILESCc1cc(N2CCc3cc(F)ccc3C2)cc(C)c1NC(=O)CC1(F)CC1
InChIInChI=1S/C22H24F2N2O/c1-14-9-19(26-8-5-16-11-18(23)4-3-17(16)13-26)10-15(2)21(14)25-20(27)12-22(24)6-7-22/h3-4,9-11H,5-8,12-13H2,1-2H3,(H,25,27)
InChIKeyCUNIXZRVRTWSRQ-UHFFFAOYSA-N
MW370.44 g/mol
LogP4.84
Rot. Bonds4

About 2-(1-fluorocyclopropyl)-N-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-dimethylphenyl]acetamide

2-(1-fluorocyclopropyl)-N-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-dimethylphenyl]acetamide (PubChem CID 176738439) has the molecular formula C22H24F2N2O and a molecular weight of 370.44 g/mol. Its IUPAC name is 2-(1-fluorocyclopropyl)-N-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-dimethylphenyl]acetamide.

Molecular Properties

Compound Name2-(1-fluorocyclopropyl)-N-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-dimethylphenyl]acetamide
PubChem CID176738439
Molecular FormulaC22H24F2N2O
Molecular Weight370.44 g/mol
Exact Mass370.19
IUPAC Name2-(1-fluorocyclopropyl)-N-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-dimethylphenyl]acetamide
SMILESCc1cc(N2CCc3cc(F)ccc3C2)cc(C)c1NC(=O)CC1(F)CC1
InChIInChI=1S/C22H24F2N2O/c1-14-9-19(26-8-5-16-11-18(23)4-3-17(16)13-26)10-15(2)21(14)25-20(27)12-22(24)6-7-22/h3-4,9-11H,5-8,12-13H2,1-2H3,(H,25,27)
InChIKeyCUNIXZRVRTWSRQ-UHFFFAOYSA-N
XLogP4.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 176950572
CID 176950572
N-[6,8-difluoro-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(1-fluorocyclopropyl)acetamide
CID 177096191
N-[2-chloro-4-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-6-methylphenyl]-3,3-dimethylbutanamide
CID 24937204
N-[2-(3,4-difluorophenyl)-6,8-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-(1-fluorocyclopropyl)acetamide
CID 177096222
N-[3,5-difluoro-4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-dimethylphenyl]propanamide
CID 158935251
N-[2,6-dimethyl-4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-3,3-dimethylbutanamide
CID 58097328
2-(1-bicyclo[1.1.1]pentanyl)-N-[4-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,6-dimethylphenyl]acetamide
CID 168967066
N-[2,6-dimethyl-4-[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]phenyl]-3,3-dimethylbutanamide
CID 24937078
N-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-bis(trihydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 176950568
N-[2,6-dichloro-4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-2-(3,3-difluorocyclobutyl)acetamide
CID 176738379
N-[2-chloro-4-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-6-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide;N-[4-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
CID 89483270
N-[4-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2,6-dimethylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide
CID 176738515

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorocyclopropyl)-N-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-dimethylphenyl]acetamide?
The IUPAC name of 2-(1-fluorocyclopropyl)-N-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-dimethylphenyl]acetamide (CID 176738439) is 2-(1-fluorocyclopropyl)-N-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-dimethylphenyl]acetamide.
What is the SMILES notation for 2-(1-fluorocyclopropyl)-N-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-dimethylphenyl]acetamide?
The canonical SMILES for 2-(1-fluorocyclopropyl)-N-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-dimethylphenyl]acetamide is Cc1cc(N2CCc3cc(F)ccc3C2)cc(C)c1NC(=O)CC1(F)CC1.
What is the InChIKey of 2-(1-fluorocyclopropyl)-N-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-dimethylphenyl]acetamide?
The InChIKey is CUNIXZRVRTWSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O/c1-14-9-19(26-8-5-16-11-18(23)4-3-17(16)13-26)10-15(2)21(14)25-20(27)12-22(24)6-7-22/h3-4,9-11H,5-8,12-13H2,1-2H3,(H,25,27).
What are the key properties of 2-(1-fluorocyclopropyl)-N-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-dimethylphenyl]acetamide?
2-(1-fluorocyclopropyl)-N-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-dimethylphenyl]acetamide has a molecular weight of 370.44 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorocyclopropyl)-N-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-dimethylphenyl]acetamide is sourced from PubChem (CID 176738439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).