N-[2-(dimethylamino)-2-oxoethyl]-3,4,5-trifluoro-N-methylbenzamide

C12H13F3N2O2 — CID 63188388

IUPACN-[2-(dimethylamino)-2-oxoethyl]-3,4,5-trifluoro-N-methylbenzamide
SMILESCN(C)C(=O)CN(C)C(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H13F3N2O2/c1-16(2)10(18)6-17(3)12(19)7-4-8(13)11(15)9(14)5-7/h4-5H,6H2,1-3H3
InChIKeyZCXUQYUPVCVBKI-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.26
Rot. Bonds3

About N-[2-(dimethylamino)-2-oxoethyl]-3,4,5-trifluoro-N-methylbenzamide

N-[2-(dimethylamino)-2-oxoethyl]-3,4,5-trifluoro-N-methylbenzamide (PubChem CID 63188388) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-3,4,5-trifluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-3,4,5-trifluoro-N-methylbenzamide
PubChem CID63188388
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-3,4,5-trifluoro-N-methylbenzamide
SMILESCN(C)C(=O)CN(C)C(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H13F3N2O2/c1-16(2)10(18)6-17(3)12(19)7-4-8(13)11(15)9(14)5-7/h4-5H,6H2,1-3H3
InChIKeyZCXUQYUPVCVBKI-UHFFFAOYSA-N
XLogP1.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63693984
3,5-diamino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61094798
N-[2-(tert-butylamino)-2-oxoethyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63188877
3,4,5-trifluoro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 63188876
4-amino-3,5-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
CID 82833484
3,4,5-trifluoro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 63188707
N-(3-amino-3-sulfanylidenepropyl)-3,4,5-trifluoro-N-methylbenzamide
CID 63186023
N-[2-(dimethylamino)-2-oxoethyl]-6-fluoro-N-methylpyridine-3-carboxamide
CID 63971406
N-[(4-aminophenyl)methyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63183664
3-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]benzoic acid
CID 43452633
N-[2-(dimethylamino)-2-oxoethyl]-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105380365
3,4,5-trifluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64511269

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-3,4,5-trifluoro-N-methylbenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-3,4,5-trifluoro-N-methylbenzamide (CID 63188388) is N-[2-(dimethylamino)-2-oxoethyl]-3,4,5-trifluoro-N-methylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-3,4,5-trifluoro-N-methylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-3,4,5-trifluoro-N-methylbenzamide is CN(C)C(=O)CN(C)C(=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-3,4,5-trifluoro-N-methylbenzamide?
The InChIKey is ZCXUQYUPVCVBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-16(2)10(18)6-17(3)12(19)7-4-8(13)11(15)9(14)5-7/h4-5H,6H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-3,4,5-trifluoro-N-methylbenzamide?
N-[2-(dimethylamino)-2-oxoethyl]-3,4,5-trifluoro-N-methylbenzamide has a molecular weight of 274.24 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-3,4,5-trifluoro-N-methylbenzamide is sourced from PubChem (CID 63188388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).