2-[2-(dimethylamino)ethylamino]-2-(3,4,5-trifluorophenyl)acetamide

C12H16F3N3O — CID 63076271

IUPAC2-[2-(dimethylamino)ethylamino]-2-(3,4,5-trifluorophenyl)acetamide
SMILESCN(C)CCNC(C(N)=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H16F3N3O/c1-18(2)4-3-17-11(12(16)19)7-5-8(13)10(15)9(14)6-7/h5-6,11,17H,3-4H2,1-2H3,(H2,16,19)
InChIKeyCCNCSCKXUDCFON-UHFFFAOYSA-N
MW275.27 g/mol
LogP0.78
Rot. Bonds6

About 2-[2-(dimethylamino)ethylamino]-2-(3,4,5-trifluorophenyl)acetamide

2-[2-(dimethylamino)ethylamino]-2-(3,4,5-trifluorophenyl)acetamide (PubChem CID 63076271) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-2-(3,4,5-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-2-(3,4,5-trifluorophenyl)acetamide
PubChem CID63076271
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name2-[2-(dimethylamino)ethylamino]-2-(3,4,5-trifluorophenyl)acetamide
SMILESCN(C)CCNC(C(N)=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H16F3N3O/c1-18(2)4-3-17-11(12(16)19)7-5-8(13)10(15)9(14)6-7/h5-6,11,17H,3-4H2,1-2H3,(H2,16,19)
InChIKeyCCNCSCKXUDCFON-UHFFFAOYSA-N
XLogP0.78
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(dimethylamino)ethylamino]-2-(3-fluoro-4-hydroxyphenyl)acetamide
CID 107686188
2-[2-(dimethylamino)ethylamino]-2-(4-hydroxy-3,5-dimethylphenyl)acetamide
CID 60996341
2-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 106817620
2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 60996063
2-(3-bromo-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 105401809
2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 60996196
2-(3-cyanophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 54892385
2-(3-bromo-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 61037179
2-[2-(dimethylamino)ethylamino]-2-(2-hydroxyphenyl)acetamide
CID 116684905
ethyl 2-(ethylamino)-2-(3,4,5-trifluorophenyl)acetate
CID 55147745
2-[2-(dimethylamino)ethylamino]-2-(3-methylthiophen-2-yl)acetamide
CID 61347921
2-(5-bromothiophen-2-yl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 61346233

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-2-(3,4,5-trifluorophenyl)acetamide?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-2-(3,4,5-trifluorophenyl)acetamide (CID 63076271) is 2-[2-(dimethylamino)ethylamino]-2-(3,4,5-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-2-(3,4,5-trifluorophenyl)acetamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-2-(3,4,5-trifluorophenyl)acetamide is CN(C)CCNC(C(N)=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-2-(3,4,5-trifluorophenyl)acetamide?
The InChIKey is CCNCSCKXUDCFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-18(2)4-3-17-11(12(16)19)7-5-8(13)10(15)9(14)6-7/h5-6,11,17H,3-4H2,1-2H3,(H2,16,19).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-2-(3,4,5-trifluorophenyl)acetamide?
2-[2-(dimethylamino)ethylamino]-2-(3,4,5-trifluorophenyl)acetamide has a molecular weight of 275.27 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-2-(3,4,5-trifluorophenyl)acetamide is sourced from PubChem (CID 63076271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).