N-(2,6-dimethylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide

C19H20F3N3O3 — CID 55698968

IUPACN-(2,6-dimethylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C19H20F3N3O3/c1-12-7-6-8-13(2)17(12)24-16(26)11-25(3)18(27)23-14-9-4-5-10-15(14)28-19(20,21)22/h4-10H,11H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyOPOCTOXKJPGAGP-UHFFFAOYSA-N
MW395.38 g/mol
LogP4.30
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide

N-(2,6-dimethylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide (PubChem CID 55698968) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide
PubChem CID55698968
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC NameN-(2,6-dimethylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C19H20F3N3O3/c1-12-7-6-8-13(2)17(12)24-16(26)11-25(3)18(27)23-14-9-4-5-10-15(14)28-19(20,21)22/h4-10H,11H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyOPOCTOXKJPGAGP-UHFFFAOYSA-N
XLogP4.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-2-[(4-fluoro-2-methoxyphenyl)carbamoyl-methylamino]acetamide
CID 86988555
N-(2,6-dimethylphenyl)-2-[(2-iodophenyl)carbamoyl-methylamino]acetamide
CID 55697019
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylphenoxy)propanamide
CID 9437503
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 38512223
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2699943
2-methyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 17395074
N-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenoxy)ethylcarbamoyl-methylamino]acetamide
CID 27535607
1-[(3-cyanophenyl)methyl]-1-methyl-3-[2-(trifluoromethoxy)phenyl]urea
CID 86988095
3-bromo-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 112683678
2-(2-methylphenyl)sulfanyl-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 35202352
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 31930851
N-(4-methylphenyl)-2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide
CID 47033491

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide (CID 55698968) is N-(2,6-dimethylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1ccccc1OC(F)(F)F.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide?
The InChIKey is OPOCTOXKJPGAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c1-12-7-6-8-13(2)17(12)24-16(26)11-25(3)18(27)23-14-9-4-5-10-15(14)28-19(20,21)22/h4-10H,11H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of N-(2,6-dimethylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide?
N-(2,6-dimethylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide has a molecular weight of 395.38 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide is sourced from PubChem (CID 55698968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).