2-(methylamino)-N-[3-(2,2,2-trifluoroethyl)phenyl]acetamide;hydrochloride

C11H14ClF3N2O — CID 119801597

IUPAC2-(methylamino)-N-[3-(2,2,2-trifluoroethyl)phenyl]acetamide;hydrochloride
SMILESCNCC(=O)Nc1cccc(CC(F)(F)F)c1.Cl
InChIInChI=1S/C11H13F3N2O.ClH/c1-15-7-10(17)16-9-4-2-3-8(5-9)6-11(12,13)14;/h2-5,15H,6-7H2,1H3,(H,16,17);1H
InChIKeyGZQMHSIFLVBYSH-UHFFFAOYSA-N
MW282.69 g/mol
LogP2.37
Rot. Bonds4

About 2-(methylamino)-N-[3-(2,2,2-trifluoroethyl)phenyl]acetamide;hydrochloride

2-(methylamino)-N-[3-(2,2,2-trifluoroethyl)phenyl]acetamide;hydrochloride (PubChem CID 119801597) has the molecular formula C11H14ClF3N2O and a molecular weight of 282.69 g/mol. Its IUPAC name is 2-(methylamino)-N-[3-(2,2,2-trifluoroethyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-[3-(2,2,2-trifluoroethyl)phenyl]acetamide;hydrochloride
PubChem CID119801597
Molecular FormulaC11H14ClF3N2O
Molecular Weight282.69 g/mol
Exact Mass282.07
IUPAC Name2-(methylamino)-N-[3-(2,2,2-trifluoroethyl)phenyl]acetamide;hydrochloride
SMILESCNCC(=O)Nc1cccc(CC(F)(F)F)c1.Cl
InChIInChI=1S/C11H13F3N2O.ClH/c1-15-7-10(17)16-9-4-2-3-8(5-9)6-11(12,13)14;/h2-5,15H,6-7H2,1H3,(H,16,17);1H
InChIKeyGZQMHSIFLVBYSH-UHFFFAOYSA-N
XLogP2.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]acetamide
CID 119333864
2,2,2-trifluoro-N-methyl-N-[[3-[[2-(methylamino)acetyl]amino]phenyl]methyl]acetamide
CID 119732257
1,1-dimethyl-3-[3-(2,2,2-trifluoroethyl)phenyl]urea
CID 70150186
(2S)-2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]propanamide;hydrochloride
CID 119333857
2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 43704904
3-amino-2-methyl-N-[3-(2,2,2-trifluoroethyl)phenyl]butanamide
CID 120501532
2-methoxy-2-methyl-3-oxo-3-[3-(2,2,2-trifluoroethyl)anilino]propanoic acid
CID 146136066
N-[3-(difluoromethylsulfanyl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119770523
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848
1-(2-hydroxyethyl)-1-propan-2-yl-3-[3-(2,2,2-trifluoroethyl)phenyl]urea
CID 75521639
N-[3-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide
CID 119333866
methyl (2R)-2-methyl-3-[[3-(2,2,2-trifluoroethyl)phenyl]carbamoylamino]propanoate
CID 97048361

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[3-(2,2,2-trifluoroethyl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(methylamino)-N-[3-(2,2,2-trifluoroethyl)phenyl]acetamide;hydrochloride (CID 119801597) is 2-(methylamino)-N-[3-(2,2,2-trifluoroethyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(methylamino)-N-[3-(2,2,2-trifluoroethyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(methylamino)-N-[3-(2,2,2-trifluoroethyl)phenyl]acetamide;hydrochloride is CNCC(=O)Nc1cccc(CC(F)(F)F)c1.Cl.
What is the InChIKey of 2-(methylamino)-N-[3-(2,2,2-trifluoroethyl)phenyl]acetamide;hydrochloride?
The InChIKey is GZQMHSIFLVBYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O.ClH/c1-15-7-10(17)16-9-4-2-3-8(5-9)6-11(12,13)14;/h2-5,15H,6-7H2,1H3,(H,16,17);1H.
What are the key properties of 2-(methylamino)-N-[3-(2,2,2-trifluoroethyl)phenyl]acetamide;hydrochloride?
2-(methylamino)-N-[3-(2,2,2-trifluoroethyl)phenyl]acetamide;hydrochloride has a molecular weight of 282.69 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[3-(2,2,2-trifluoroethyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119801597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).