N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride

C13H17ClF3N3O2 — CID 119503351

IUPACN-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride
SMILESCNCCNC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C13H16F3N3O2.ClH/c1-17-6-7-18-11(20)8-19-12(21)9-2-4-10(5-3-9)13(14,15)16;/h2-5,17H,6-8H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyVREXMVGDRTZJLO-UHFFFAOYSA-N
MW339.75 g/mol
LogP1.19
Rot. Bonds6

About N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride

N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 119503351) has the molecular formula C13H17ClF3N3O2 and a molecular weight of 339.75 g/mol. Its IUPAC name is N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride
PubChem CID119503351
Molecular FormulaC13H17ClF3N3O2
Molecular Weight339.75 g/mol
Exact Mass339.10
IUPAC NameN-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride
SMILESCNCCNC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C13H16F3N3O2.ClH/c1-17-6-7-18-11(20)8-19-12(21)9-2-4-10(5-3-9)13(14,15)16;/h2-5,17H,6-8H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyVREXMVGDRTZJLO-UHFFFAOYSA-N
XLogP1.19
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.75
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112990650
N-[2-(2-methylpropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 86976279
N-[2-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 55546139
N-[2-[2-(methylamino)propylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 120833138
4-fluoro-N-[2-oxo-2-[2-[4-(trifluoromethyl)phenoxy]ethylamino]ethyl]benzamide
CID 47059246
4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 770701
N-[3-(methylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62115395
N-[2-[3-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 119432544
4-fluoro-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 27052452
N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 112993165
N-[2-(4-acetylanilino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 26681918
N-[2-(2-benzylsulfanylethylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 8749593

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride (CID 119503351) is N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride is CNCCNC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1.Cl.
What is the InChIKey of N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is VREXMVGDRTZJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2.ClH/c1-17-6-7-18-11(20)8-19-12(21)9-2-4-10(5-3-9)13(14,15)16;/h2-5,17H,6-8H2,1H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride?
N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 339.75 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 119503351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).