2,2,2-trifluoro-N-(3-fluoro-4-propylphenyl)-N-[(8-methyl-1,2,3,4-tetrahydroquinolin-7-yl)methyl]acetamide

C22H24F4N2O — CID 89063005

IUPAC2,2,2-trifluoro-N-(3-fluoro-4-propylphenyl)-N-[(8-methyl-1,2,3,4-tetrahydroquinolin-7-yl)methyl]acetamide
SMILESCCCc1ccc(N(Cc2ccc3c(c2C)NCCC3)C(=O)C(F)(F)F)cc1F
InChIInChI=1S/C22H24F4N2O/c1-3-5-15-9-10-18(12-19(15)23)28(21(29)22(24,25)26)13-17-8-7-16-6-4-11-27-20(16)14(17)2/h7-10,12,27H,3-6,11,13H2,1-2H3
InChIKeyXJUHCZPQFBNJHQ-UHFFFAOYSA-N
MW408.44 g/mol
LogP5.54
Rot. Bonds5

About 2,2,2-trifluoro-N-(3-fluoro-4-propylphenyl)-N-[(8-methyl-1,2,3,4-tetrahydroquinolin-7-yl)methyl]acetamide

2,2,2-trifluoro-N-(3-fluoro-4-propylphenyl)-N-[(8-methyl-1,2,3,4-tetrahydroquinolin-7-yl)methyl]acetamide (PubChem CID 89063005) has the molecular formula C22H24F4N2O and a molecular weight of 408.44 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3-fluoro-4-propylphenyl)-N-[(8-methyl-1,2,3,4-tetrahydroquinolin-7-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3-fluoro-4-propylphenyl)-N-[(8-methyl-1,2,3,4-tetrahydroquinolin-7-yl)methyl]acetamide
PubChem CID89063005
Molecular FormulaC22H24F4N2O
Molecular Weight408.44 g/mol
Exact Mass408.18
IUPAC Name2,2,2-trifluoro-N-(3-fluoro-4-propylphenyl)-N-[(8-methyl-1,2,3,4-tetrahydroquinolin-7-yl)methyl]acetamide
SMILESCCCc1ccc(N(Cc2ccc3c(c2C)NCCC3)C(=O)C(F)(F)F)cc1F
InChIInChI=1S/C22H24F4N2O/c1-3-5-15-9-10-18(12-19(15)23)28(21(29)22(24,25)26)13-17-8-7-16-6-4-11-27-20(16)14(17)2/h7-10,12,27H,3-6,11,13H2,1-2H3
InChIKeyXJUHCZPQFBNJHQ-UHFFFAOYSA-N
XLogP5.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.44
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(3-fluoro-4-propylphenyl)-N-[(8-methyl-1,2,3,4-tetrahydroquinolin-7-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(3-fluoro-4-propylphenyl)-N-[(8-methyl-1,2,3,4-tetrahydroquinolin-7-yl)methyl]acetamide (CID 89063005) is 2,2,2-trifluoro-N-(3-fluoro-4-propylphenyl)-N-[(8-methyl-1,2,3,4-tetrahydroquinolin-7-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3-fluoro-4-propylphenyl)-N-[(8-methyl-1,2,3,4-tetrahydroquinolin-7-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(3-fluoro-4-propylphenyl)-N-[(8-methyl-1,2,3,4-tetrahydroquinolin-7-yl)methyl]acetamide is CCCc1ccc(N(Cc2ccc3c(c2C)NCCC3)C(=O)C(F)(F)F)cc1F.
What is the InChIKey of 2,2,2-trifluoro-N-(3-fluoro-4-propylphenyl)-N-[(8-methyl-1,2,3,4-tetrahydroquinolin-7-yl)methyl]acetamide?
The InChIKey is XJUHCZPQFBNJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4N2O/c1-3-5-15-9-10-18(12-19(15)23)28(21(29)22(24,25)26)13-17-8-7-16-6-4-11-27-20(16)14(17)2/h7-10,12,27H,3-6,11,13H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-(3-fluoro-4-propylphenyl)-N-[(8-methyl-1,2,3,4-tetrahydroquinolin-7-yl)methyl]acetamide?
2,2,2-trifluoro-N-(3-fluoro-4-propylphenyl)-N-[(8-methyl-1,2,3,4-tetrahydroquinolin-7-yl)methyl]acetamide has a molecular weight of 408.44 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(3-fluoro-4-propylphenyl)-N-[(8-methyl-1,2,3,4-tetrahydroquinolin-7-yl)methyl]acetamide is sourced from PubChem (CID 89063005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).