2,2,2-trifluoro-N-methyl-N-[[3-[[2-(methylamino)acetyl]amino]phenyl]methyl]acetamide

C13H16F3N3O2 — CID 119732257

IUPAC2,2,2-trifluoro-N-methyl-N-[[3-[[2-(methylamino)acetyl]amino]phenyl]methyl]acetamide
SMILESCNCC(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1
InChIInChI=1S/C13H16F3N3O2/c1-17-7-11(20)18-10-5-3-4-9(6-10)8-19(2)12(21)13(14,15)16/h3-6,17H,7-8H2,1-2H3,(H,18,20)
InChIKeyBBUJQXBABJUXRQ-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.37
Rot. Bonds5

About 2,2,2-trifluoro-N-methyl-N-[[3-[[2-(methylamino)acetyl]amino]phenyl]methyl]acetamide

2,2,2-trifluoro-N-methyl-N-[[3-[[2-(methylamino)acetyl]amino]phenyl]methyl]acetamide (PubChem CID 119732257) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[[3-[[2-(methylamino)acetyl]amino]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[[3-[[2-(methylamino)acetyl]amino]phenyl]methyl]acetamide
PubChem CID119732257
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name2,2,2-trifluoro-N-methyl-N-[[3-[[2-(methylamino)acetyl]amino]phenyl]methyl]acetamide
SMILESCNCC(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1
InChIInChI=1S/C13H16F3N3O2/c1-17-7-11(20)18-10-5-3-4-9(6-10)8-19(2)12(21)13(14,15)16/h3-6,17H,7-8H2,1-2H3,(H,18,20)
InChIKeyBBUJQXBABJUXRQ-UHFFFAOYSA-N
XLogP1.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(2-aminoacetyl)amino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide
CID 119294226
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]butanamide
CID 119732275
2-(methylamino)-N-[3-(2,2,2-trifluoroethyl)phenyl]acetamide;hydrochloride
CID 119801597
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
3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pyrazine-2-carboxamide
CID 38587212
3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide
CID 119732249
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
N-[[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]methyl]-N-ethyl-2,2,2-trifluoroacetamide;hydrochloride
CID 119732650
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-bromopropanamide
CID 113385188

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[[3-[[2-(methylamino)acetyl]amino]phenyl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[[3-[[2-(methylamino)acetyl]amino]phenyl]methyl]acetamide (CID 119732257) is 2,2,2-trifluoro-N-methyl-N-[[3-[[2-(methylamino)acetyl]amino]phenyl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[[3-[[2-(methylamino)acetyl]amino]phenyl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[[3-[[2-(methylamino)acetyl]amino]phenyl]methyl]acetamide is CNCC(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[[3-[[2-(methylamino)acetyl]amino]phenyl]methyl]acetamide?
The InChIKey is BBUJQXBABJUXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c1-17-7-11(20)18-10-5-3-4-9(6-10)8-19(2)12(21)13(14,15)16/h3-6,17H,7-8H2,1-2H3,(H,18,20).
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[[3-[[2-(methylamino)acetyl]amino]phenyl]methyl]acetamide?
2,2,2-trifluoro-N-methyl-N-[[3-[[2-(methylamino)acetyl]amino]phenyl]methyl]acetamide has a molecular weight of 303.28 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[[3-[[2-(methylamino)acetyl]amino]phenyl]methyl]acetamide is sourced from PubChem (CID 119732257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).