N-(2-methoxyphenyl)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetamide

C16H19F3N4O2 — CID 56509258

IUPACN-(2-methoxyphenyl)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetamide
SMILESCOc1ccccc1NC(=O)CN(C)Cc1nccn1CC(F)(F)F
InChIInChI=1S/C16H19F3N4O2/c1-22(9-14-20-7-8-23(14)11-16(17,18)19)10-15(24)21-12-5-3-4-6-13(12)25-2/h3-8H,9-11H2,1-2H3,(H,21,24)
InChIKeyWGPOPDFSQGZOAY-UHFFFAOYSA-N
MW356.35 g/mol
LogP2.52
Rot. Bonds7

About N-(2-methoxyphenyl)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetamide

N-(2-methoxyphenyl)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetamide (PubChem CID 56509258) has the molecular formula C16H19F3N4O2 and a molecular weight of 356.35 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetamide
PubChem CID56509258
Molecular FormulaC16H19F3N4O2
Molecular Weight356.35 g/mol
Exact Mass356.15
IUPAC NameN-(2-methoxyphenyl)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetamide
SMILESCOc1ccccc1NC(=O)CN(C)Cc1nccn1CC(F)(F)F
InChIInChI=1S/C16H19F3N4O2/c1-22(9-14-20-7-8-23(14)11-16(17,18)19)10-15(24)21-12-5-3-4-6-13(12)25-2/h3-8H,9-11H2,1-2H3,(H,21,24)
InChIKeyWGPOPDFSQGZOAY-UHFFFAOYSA-N
XLogP2.52
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-benzylimidazol-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide
CID 86927857
2-[(2-fluorophenyl)methyl-methylamino]-N-(2-methoxyphenyl)acetamide
CID 8005528
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methoxyphenyl)acetamide
CID 9251272
N-(2-methoxyphenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide
CID 63295642
4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide
CID 155941258
2-[butyl(methyl)amino]-N-(2-methoxyphenyl)acetamide
CID 109006138
N-(2-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595958
2-[(3-amino-4-pyridinyl)-methylamino]-N-(2-methoxyphenyl)acetamide
CID 61357480
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9286477
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 38302528
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methoxyphenyl)acetamide
CID 62016325

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetamide (CID 56509258) is N-(2-methoxyphenyl)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetamide is COc1ccccc1NC(=O)CN(C)Cc1nccn1CC(F)(F)F.
What is the InChIKey of N-(2-methoxyphenyl)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetamide?
The InChIKey is WGPOPDFSQGZOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O2/c1-22(9-14-20-7-8-23(14)11-16(17,18)19)10-15(24)21-12-5-3-4-6-13(12)25-2/h3-8H,9-11H2,1-2H3,(H,21,24).
What are the key properties of N-(2-methoxyphenyl)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetamide?
N-(2-methoxyphenyl)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetamide has a molecular weight of 356.35 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetamide is sourced from PubChem (CID 56509258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).