N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C16H18ClF3N4O — CID 55349128

IUPACN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCN(C)C(CNC(=O)Cn1ccc(C(F)(F)F)n1)c1ccccc1Cl
InChIInChI=1S/C16H18ClF3N4O/c1-23(2)13(11-5-3-4-6-12(11)17)9-21-15(25)10-24-8-7-14(22-24)16(18,19)20/h3-8,13H,9-10H2,1-2H3,(H,21,25)
InChIKeyGBGJFXVHSSXSII-UHFFFAOYSA-N
MW374.79 g/mol
LogP2.97
Rot. Bonds6

About N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 55349128) has the molecular formula C16H18ClF3N4O and a molecular weight of 374.79 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID55349128
Molecular FormulaC16H18ClF3N4O
Molecular Weight374.79 g/mol
Exact Mass374.11
IUPAC NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCN(C)C(CNC(=O)Cn1ccc(C(F)(F)F)n1)c1ccccc1Cl
InChIInChI=1S/C16H18ClF3N4O/c1-23(2)13(11-5-3-4-6-12(11)17)9-21-15(25)10-24-8-7-14(22-24)16(18,19)20/h3-8,13H,9-10H2,1-2H3,(H,21,25)
InChIKeyGBGJFXVHSSXSII-UHFFFAOYSA-N
XLogP2.97
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.79
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 55349128) is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CN(C)C(CNC(=O)Cn1ccc(C(F)(F)F)n1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is GBGJFXVHSSXSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF3N4O/c1-23(2)13(11-5-3-4-6-12(11)17)9-21-15(25)10-24-8-7-14(22-24)16(18,19)20/h3-8,13H,9-10H2,1-2H3,(H,21,25).
What are the key properties of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 374.79 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 55349128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).