4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide

C21H18ClF3N4O4 — CID 55502745

IUPAC4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide
SMILESCOc1cc(C(=O)Nc2cc(C)nn2-c2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C21H18ClF3N4O4/c1-11-6-18(29(28-11)14-5-3-4-13(9-14)21(23,24)25)27-20(31)12-7-15(22)19(16(8-12)32-2)33-10-17(26)30/h3-9H,10H2,1-2H3,(H2,26,30)(H,27,31)
InChIKeyGJQOJIQLLRABPC-UHFFFAOYSA-N
MW482.85 g/mol
LogP3.98
Rot. Bonds7

About 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide

4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide (PubChem CID 55502745) has the molecular formula C21H18ClF3N4O4 and a molecular weight of 482.85 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide
PubChem CID55502745
Molecular FormulaC21H18ClF3N4O4
Molecular Weight482.85 g/mol
Exact Mass482.10
IUPAC Name4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide
SMILESCOc1cc(C(=O)Nc2cc(C)nn2-c2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C21H18ClF3N4O4/c1-11-6-18(29(28-11)14-5-3-4-13(9-14)21(23,24)25)27-20(31)12-7-15(22)19(16(8-12)32-2)33-10-17(26)30/h3-9H,10H2,1-2H3,(H2,26,30)(H,27,31)
InChIKeyGJQOJIQLLRABPC-UHFFFAOYSA-N
XLogP3.98
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.85
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4,5-dimethoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 43036788
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 24590783
2-(2-fluorophenoxy)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
CID 55520422
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55492038
3-(diethylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide
CID 55502941
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 43018526
4-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
CID 55871877
4-(2-amino-2-oxoethoxy)-3-chloro-N-(3-hydroxy-2-pyridinyl)-5-methoxybenzamide
CID 29476148
4-(2-amino-2-oxoethoxy)-3-chloro-N-(2-fluoro-5-methylphenyl)-5-methoxybenzamide
CID 42475729
5-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55572298
N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 78883780
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide
CID 55503618

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide (CID 55502745) is 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide is COc1cc(C(=O)Nc2cc(C)nn2-c2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide?
The InChIKey is GJQOJIQLLRABPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF3N4O4/c1-11-6-18(29(28-11)14-5-3-4-13(9-14)21(23,24)25)27-20(31)12-7-15(22)19(16(8-12)32-2)33-10-17(26)30/h3-9H,10H2,1-2H3,(H2,26,30)(H,27,31).
What are the key properties of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide?
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide has a molecular weight of 482.85 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 55502745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).