N-(3-chloro-2-methylphenyl)-2-[[2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetyl]amino]acetamide

C23H27ClF3N3O3 — CID 60524139

IUPACN-(3-chloro-2-methylphenyl)-2-[[2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetyl]amino]acetamide
SMILESCc1cc(CN(C)CC(=O)NCC(=O)Nc2cccc(Cl)c2C)cc(C)c1OCC(F)(F)F
InChIInChI=1S/C23H27ClF3N3O3/c1-14-8-17(9-15(2)22(14)33-13-23(25,26)27)11-30(4)12-21(32)28-10-20(31)29-19-7-5-6-18(24)16(19)3/h5-9H,10-13H2,1-4H3,(H,28,32)(H,29,31)
InChIKeyNGMJXQBGKHFJAD-UHFFFAOYSA-N
MW485.93 g/mol
LogP4.39
Rot. Bonds9

About N-(3-chloro-2-methylphenyl)-2-[[2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetyl]amino]acetamide

N-(3-chloro-2-methylphenyl)-2-[[2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetyl]amino]acetamide (PubChem CID 60524139) has the molecular formula C23H27ClF3N3O3 and a molecular weight of 485.93 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[[2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[[2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetyl]amino]acetamide
PubChem CID60524139
Molecular FormulaC23H27ClF3N3O3
Molecular Weight485.93 g/mol
Exact Mass485.17
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[[2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetyl]amino]acetamide
SMILESCc1cc(CN(C)CC(=O)NCC(=O)Nc2cccc(Cl)c2C)cc(C)c1OCC(F)(F)F
InChIInChI=1S/C23H27ClF3N3O3/c1-14-8-17(9-15(2)22(14)33-13-23(25,26)27)11-30(4)12-21(32)28-10-20(31)29-19-7-5-6-18(24)16(19)3/h5-9H,10-13H2,1-4H3,(H,28,32)(H,29,31)
InChIKeyNGMJXQBGKHFJAD-UHFFFAOYSA-N
XLogP4.39
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.93
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-2-methylphenyl)-2-[[2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetyl]amino]acetamide with MolForge

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Related Compounds

N-(2,6-dichlorophenyl)-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetamide
CID 52690847
2-chloro-N'-[2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetyl]benzohydrazide
CID 52690938
2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(2-nitrophenyl)acetamide
CID 52690735
2-[(4-bromophenyl)methyl-methylamino]-N-(3-chloro-2-methylphenyl)acetamide
CID 2657306
N-(3-cyanothiophen-2-yl)-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetamide
CID 55861159
N-(3-chloro-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86915349
2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 9058226
N-(3-chloro-2-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 2472619
N-(3-chloro-2-methylphenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057796
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 2658580
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 835994
2-[(2,6-dichlorophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287814

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[[2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetyl]amino]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[[2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetyl]amino]acetamide (CID 60524139) is N-(3-chloro-2-methylphenyl)-2-[[2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetyl]amino]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[[2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetyl]amino]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[[2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetyl]amino]acetamide is Cc1cc(CN(C)CC(=O)NCC(=O)Nc2cccc(Cl)c2C)cc(C)c1OCC(F)(F)F.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[[2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetyl]amino]acetamide?
The InChIKey is NGMJXQBGKHFJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClF3N3O3/c1-14-8-17(9-15(2)22(14)33-13-23(25,26)27)11-30(4)12-21(32)28-10-20(31)29-19-7-5-6-18(24)16(19)3/h5-9H,10-13H2,1-4H3,(H,28,32)(H,29,31).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[[2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetyl]amino]acetamide?
N-(3-chloro-2-methylphenyl)-2-[[2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetyl]amino]acetamide has a molecular weight of 485.93 g/mol, XLogP of 4.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[[2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetyl]amino]acetamide is sourced from PubChem (CID 60524139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).