N-methyl-2-(1-oxoisoquinolin-2-yl)-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide

C19H21F3N2O2 — CID 126806811

IUPACN-methyl-2-(1-oxoisoquinolin-2-yl)-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide
SMILESCN(C(=O)Cn1ccc2ccccc2c1=O)[C@H]1CCCC[C@H]1C(F)(F)F
InChIInChI=1S/C19H21F3N2O2/c1-23(16-9-5-4-8-15(16)19(20,21)22)17(25)12-24-11-10-13-6-2-3-7-14(13)18(24)26/h2-3,6-7,10-11,15-16H,4-5,8-9,12H2,1H3/t15-,16+/m1/s1
InChIKeyGOAXAHXMTUSMKO-CVEARBPZSA-N
MW366.38 g/mol
LogP3.58
Rot. Bonds3

About N-methyl-2-(1-oxoisoquinolin-2-yl)-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide

N-methyl-2-(1-oxoisoquinolin-2-yl)-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 126806811) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-methyl-2-(1-oxoisoquinolin-2-yl)-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(1-oxoisoquinolin-2-yl)-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID126806811
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC NameN-methyl-2-(1-oxoisoquinolin-2-yl)-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide
SMILESCN(C(=O)Cn1ccc2ccccc2c1=O)[C@H]1CCCC[C@H]1C(F)(F)F
InChIInChI=1S/C19H21F3N2O2/c1-23(16-9-5-4-8-15(16)19(20,21)22)17(25)12-24-11-10-13-6-2-3-7-14(13)18(24)26/h2-3,6-7,10-11,15-16H,4-5,8-9,12H2,1H3/t15-,16+/m1/s1
InChIKeyGOAXAHXMTUSMKO-CVEARBPZSA-N
XLogP3.58
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-oxoisoquinolin-2-yl)-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of N-methyl-2-(1-oxoisoquinolin-2-yl)-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide (CID 126806811) is N-methyl-2-(1-oxoisoquinolin-2-yl)-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for N-methyl-2-(1-oxoisoquinolin-2-yl)-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for N-methyl-2-(1-oxoisoquinolin-2-yl)-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide is CN(C(=O)Cn1ccc2ccccc2c1=O)[C@H]1CCCC[C@H]1C(F)(F)F.
What is the InChIKey of N-methyl-2-(1-oxoisoquinolin-2-yl)-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is GOAXAHXMTUSMKO-CVEARBPZSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-23(16-9-5-4-8-15(16)19(20,21)22)17(25)12-24-11-10-13-6-2-3-7-14(13)18(24)26/h2-3,6-7,10-11,15-16H,4-5,8-9,12H2,1H3/t15-,16+/m1/s1.
What are the key properties of N-methyl-2-(1-oxoisoquinolin-2-yl)-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide?
N-methyl-2-(1-oxoisoquinolin-2-yl)-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 366.38 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-oxoisoquinolin-2-yl)-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 126806811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).