N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide

C16H21F3N4O3 — CID 40694690

IUPACN-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide
SMILESCc1cccc(NC(=O)CN(C)CC(=O)NC(=O)NCC(F)(F)F)c1C
InChIInChI=1S/C16H21F3N4O3/c1-10-5-4-6-12(11(10)2)21-13(24)7-23(3)8-14(25)22-15(26)20-9-16(17,18)19/h4-6H,7-9H2,1-3H3,(H,21,24)(H2,20,22,25,26)
InChIKeyKOMXQJFMHBWHRD-UHFFFAOYSA-N
MW374.36 g/mol
LogP1.56
Rot. Bonds6

About N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide

N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide (PubChem CID 40694690) has the molecular formula C16H21F3N4O3 and a molecular weight of 374.36 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide
PubChem CID40694690
Molecular FormulaC16H21F3N4O3
Molecular Weight374.36 g/mol
Exact Mass374.16
IUPAC NameN-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide
SMILESCc1cccc(NC(=O)CN(C)CC(=O)NC(=O)NCC(F)(F)F)c1C
InChIInChI=1S/C16H21F3N4O3/c1-10-5-4-6-12(11(10)2)21-13(24)7-23(3)8-14(25)22-15(26)20-9-16(17,18)19/h4-6H,7-9H2,1-3H3,(H,21,24)(H2,20,22,25,26)
InChIKeyKOMXQJFMHBWHRD-UHFFFAOYSA-N
XLogP1.56
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9287446
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide
CID 51282323
N-(2,3-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]acetamide
CID 35329527
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 38512223
N-(4-chloro-2-fluorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287978
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 9435279
N-(2,6-dimethylphenyl)-2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
CID 9221772
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287854
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 79651972
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9288005
1-(2-fluoro-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 114254796
N-(2-chloro-4-methylphenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287929

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide (CID 40694690) is N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide is Cc1cccc(NC(=O)CN(C)CC(=O)NC(=O)NCC(F)(F)F)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide?
The InChIKey is KOMXQJFMHBWHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O3/c1-10-5-4-6-12(11(10)2)21-13(24)7-23(3)8-14(25)22-15(26)20-9-16(17,18)19/h4-6H,7-9H2,1-3H3,(H,21,24)(H2,20,22,25,26).
What are the key properties of N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide?
N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide has a molecular weight of 374.36 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide is sourced from PubChem (CID 40694690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).