N-[2-(2,4-difluorobenzoyl)-6-methyl-3,4-dihydro-1H-isoquinolin-5-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide

C26H20F6N2O2 — CID 59585702

IUPACN-[2-(2,4-difluorobenzoyl)-6-methyl-3,4-dihydro-1H-isoquinolin-5-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc2c(c1NC(=O)Cc1ccc(C(F)(F)F)c(F)c1)CCN(C(=O)c1ccc(F)cc1F)C2
InChIInChI=1S/C26H20F6N2O2/c1-14-2-4-16-13-34(25(36)19-6-5-17(27)12-21(19)28)9-8-18(16)24(14)33-23(35)11-15-3-7-20(22(29)10-15)26(30,31)32/h2-7,10,12H,8-9,11,13H2,1H3,(H,33,35)
InChIKeyCUWWUOIRNCGIRF-UHFFFAOYSA-N
MW506.45 g/mol
LogP5.81
Rot. Bonds4

About N-[2-(2,4-difluorobenzoyl)-6-methyl-3,4-dihydro-1H-isoquinolin-5-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide

N-[2-(2,4-difluorobenzoyl)-6-methyl-3,4-dihydro-1H-isoquinolin-5-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide (PubChem CID 59585702) has the molecular formula C26H20F6N2O2 and a molecular weight of 506.45 g/mol. Its IUPAC name is N-[2-(2,4-difluorobenzoyl)-6-methyl-3,4-dihydro-1H-isoquinolin-5-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorobenzoyl)-6-methyl-3,4-dihydro-1H-isoquinolin-5-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide
PubChem CID59585702
Molecular FormulaC26H20F6N2O2
Molecular Weight506.45 g/mol
Exact Mass506.14
IUPAC NameN-[2-(2,4-difluorobenzoyl)-6-methyl-3,4-dihydro-1H-isoquinolin-5-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc2c(c1NC(=O)Cc1ccc(C(F)(F)F)c(F)c1)CCN(C(=O)c1ccc(F)cc1F)C2
InChIInChI=1S/C26H20F6N2O2/c1-14-2-4-16-13-34(25(36)19-6-5-17(27)12-21(19)28)9-8-18(16)24(14)33-23(35)11-15-3-7-20(22(29)10-15)26(30,31)32/h2-7,10,12H,8-9,11,13H2,1H3,(H,33,35)
InChIKeyCUWWUOIRNCGIRF-UHFFFAOYSA-N
XLogP5.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.45
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(2,4-difluorobenzoyl)-6-methyl-3,4-dihydro-1H-isoquinolin-5-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide 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 N-[2-(2,4-difluorobenzoyl)-6-methyl-3,4-dihydro-1H-isoquinolin-5-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-(2,4-difluorobenzoyl)-6-methyl-3,4-dihydro-1H-isoquinolin-5-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide (CID 59585702) is N-[2-(2,4-difluorobenzoyl)-6-methyl-3,4-dihydro-1H-isoquinolin-5-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-(2,4-difluorobenzoyl)-6-methyl-3,4-dihydro-1H-isoquinolin-5-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-(2,4-difluorobenzoyl)-6-methyl-3,4-dihydro-1H-isoquinolin-5-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide is Cc1ccc2c(c1NC(=O)Cc1ccc(C(F)(F)F)c(F)c1)CCN(C(=O)c1ccc(F)cc1F)C2.
What is the InChIKey of N-[2-(2,4-difluorobenzoyl)-6-methyl-3,4-dihydro-1H-isoquinolin-5-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is CUWWUOIRNCGIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F6N2O2/c1-14-2-4-16-13-34(25(36)19-6-5-17(27)12-21(19)28)9-8-18(16)24(14)33-23(35)11-15-3-7-20(22(29)10-15)26(30,31)32/h2-7,10,12H,8-9,11,13H2,1H3,(H,33,35).
What are the key properties of N-[2-(2,4-difluorobenzoyl)-6-methyl-3,4-dihydro-1H-isoquinolin-5-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide?
N-[2-(2,4-difluorobenzoyl)-6-methyl-3,4-dihydro-1H-isoquinolin-5-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 506.45 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorobenzoyl)-6-methyl-3,4-dihydro-1H-isoquinolin-5-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 59585702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).