N-[[3-[(2-aminoacetyl)amino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide

C12H14F3N3O2 — CID 119294226

IUPACN-[[3-[(2-aminoacetyl)amino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(Cc1cccc(NC(=O)CN)c1)C(=O)C(F)(F)F
InChIInChI=1S/C12H14F3N3O2/c1-18(11(20)12(13,14)15)7-8-3-2-4-9(5-8)17-10(19)6-16/h2-5H,6-7,16H2,1H3,(H,17,19)
InChIKeyAZUCIFPKOZWCOF-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.10
Rot. Bonds4

About N-[[3-[(2-aminoacetyl)amino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide

N-[[3-[(2-aminoacetyl)amino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 119294226) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is N-[[3-[(2-aminoacetyl)amino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[[3-[(2-aminoacetyl)amino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID119294226
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC NameN-[[3-[(2-aminoacetyl)amino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(Cc1cccc(NC(=O)CN)c1)C(=O)C(F)(F)F
InChIInChI=1S/C12H14F3N3O2/c1-18(11(20)12(13,14)15)7-8-3-2-4-9(5-8)17-10(19)6-16/h2-5H,6-7,16H2,1H3,(H,17,19)
InChIKeyAZUCIFPKOZWCOF-UHFFFAOYSA-N
XLogP1.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-methyl-N-[[3-[[2-(methylamino)acetyl]amino]phenyl]methyl]acetamide
CID 119732257
3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
CID 119732275
2-amino-N-[3-[(dimethylamino)methyl]phenyl]acetamide;dihydrochloride
CID 119853176
1-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopropane-1-carboxamide
CID 119732241
(2S)-2-amino-3,3-dimethyl-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
CID 119732261
2,2,2-trifluoro-N-[[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]methyl]-N-methylacetamide;hydrochloride
CID 119732278
3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pyrazine-2-carboxamide
CID 38587212
2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]acetamide
CID 119333864
3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide
CID 119732249
9-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985748
N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119294213
N-[[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide
CID 122150263

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-aminoacetyl)amino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[[3-[(2-aminoacetyl)amino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide (CID 119294226) is N-[[3-[(2-aminoacetyl)amino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[[3-[(2-aminoacetyl)amino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[[3-[(2-aminoacetyl)amino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide is CN(Cc1cccc(NC(=O)CN)c1)C(=O)C(F)(F)F.
What is the InChIKey of N-[[3-[(2-aminoacetyl)amino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is AZUCIFPKOZWCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c1-18(11(20)12(13,14)15)7-8-3-2-4-9(5-8)17-10(19)6-16/h2-5H,6-7,16H2,1H3,(H,17,19).
What are the key properties of N-[[3-[(2-aminoacetyl)amino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide?
N-[[3-[(2-aminoacetyl)amino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 289.26 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-aminoacetyl)amino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 119294226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).