3-[4-(difluoromethoxy)phenyl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide

C19H19F3N2O2 — CID 120881866

IUPAC3-[4-(difluoromethoxy)phenyl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
SMILESO=C(CCc1ccc(OC(F)F)cc1)Nc1ccc2c(c1F)CCNC2
InChIInChI=1S/C19H19F3N2O2/c20-18-15-9-10-23-11-13(15)4-7-16(18)24-17(25)8-3-12-1-5-14(6-2-12)26-19(21)22/h1-2,4-7,19,23H,3,8-11H2,(H,24,25)
InChIKeyUUQCCEDHACCNPI-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.64
Rot. Bonds6

About 3-[4-(difluoromethoxy)phenyl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide

3-[4-(difluoromethoxy)phenyl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide (PubChem CID 120881866) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
PubChem CID120881866
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name3-[4-(difluoromethoxy)phenyl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
SMILESO=C(CCc1ccc(OC(F)F)cc1)Nc1ccc2c(c1F)CCNC2
InChIInChI=1S/C19H19F3N2O2/c20-18-15-9-10-23-11-13(15)4-7-16(18)24-17(25)8-3-12-1-5-14(6-2-12)26-19(21)22/h1-2,4-7,19,23H,3,8-11H2,(H,24,25)
InChIKeyUUQCCEDHACCNPI-UHFFFAOYSA-N
XLogP3.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 120881649
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-propan-2-yloxypropanamide
CID 120883744
3-(2,5-dimethoxyphenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride
CID 120882745
2-[4-(difluoromethylsulfonyl)phenyl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride
CID 120884075
3-(3,5-dimethylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
CID 120883364
4-butan-2-yloxy-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide;hydrochloride
CID 120882245
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 120882354
3-[4-(difluoromethoxy)phenyl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 86922885
2-(2-ethoxyethoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride
CID 120883699
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-(2-methylpropoxy)benzamide;hydrochloride
CID 120882789
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-N',N'-dipropylbutanediamide
CID 120883280
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 120882839

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide (CID 120881866) is 3-[4-(difluoromethoxy)phenyl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide is O=C(CCc1ccc(OC(F)F)cc1)Nc1ccc2c(c1F)CCNC2.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide?
The InChIKey is UUQCCEDHACCNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c20-18-15-9-10-23-11-13(15)4-7-16(18)24-17(25)8-3-12-1-5-14(6-2-12)26-19(21)22/h1-2,4-7,19,23H,3,8-11H2,(H,24,25).
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide?
3-[4-(difluoromethoxy)phenyl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide has a molecular weight of 364.37 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide is sourced from PubChem (CID 120881866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).