N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(trifluoromethyl)benzamide

C18H18ClF3N2O — CID 30826610

IUPACN-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(trifluoromethyl)benzamide
SMILESCN(C)[C@@H](CNC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1Cl
InChIInChI=1S/C18H18ClF3N2O/c1-24(2)16(14-8-3-4-9-15(14)19)11-23-17(25)12-6-5-7-13(10-12)18(20,21)22/h3-10,16H,11H2,1-2H3,(H,23,25)/t16-/m0/s1
InChIKeyGEDFDGANAQFBLM-INIZCTEOSA-N
MW370.80 g/mol
LogP4.39
Rot. Bonds5

About N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(trifluoromethyl)benzamide

N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 30826610) has the molecular formula C18H18ClF3N2O and a molecular weight of 370.80 g/mol. Its IUPAC name is N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(trifluoromethyl)benzamide
PubChem CID30826610
Molecular FormulaC18H18ClF3N2O
Molecular Weight370.80 g/mol
Exact Mass370.11
IUPAC NameN-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(trifluoromethyl)benzamide
SMILESCN(C)[C@@H](CNC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1Cl
InChIInChI=1S/C18H18ClF3N2O/c1-24(2)16(14-8-3-4-9-15(14)19)11-23-17(25)12-6-5-7-13(10-12)18(20,21)22/h3-10,16H,11H2,1-2H3,(H,23,25)/t16-/m0/s1
InChIKeyGEDFDGANAQFBLM-INIZCTEOSA-N
XLogP4.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(trifluoromethyl)benzamide (CID 30826610) is N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(trifluoromethyl)benzamide is CN(C)[C@@H](CNC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1Cl.
What is the InChIKey of N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is GEDFDGANAQFBLM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18ClF3N2O/c1-24(2)16(14-8-3-4-9-15(14)19)11-23-17(25)12-6-5-7-13(10-12)18(20,21)22/h3-10,16H,11H2,1-2H3,(H,23,25)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(trifluoromethyl)benzamide?
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 370.80 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 30826610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).