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

C12H15F3N2O — CID 63693984

IUPACN-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H15F3N2O/c1-16(2)4-5-17(3)12(18)8-6-9(13)11(15)10(14)7-8/h6-7H,4-5H2,1-3H3
InChIKeyYHQPVMLDMNFPHQ-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.74
Rot. Bonds4

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

N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-methylbenzamide (PubChem CID 63693984) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-methylbenzamide
PubChem CID63693984
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC NameN-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H15F3N2O/c1-16(2)4-5-17(3)12(18)8-6-9(13)11(15)10(14)7-8/h6-7H,4-5H2,1-3H3
InChIKeyYHQPVMLDMNFPHQ-UHFFFAOYSA-N
XLogP1.74
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.74
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

4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-methylbenzamide
CID 55228481
N-(3-amino-3-sulfanylidenepropyl)-3,4,5-trifluoro-N-methylbenzamide
CID 63186023
N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-methylbenzamide
CID 104939111
N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-(2-methylpropyl)benzamide
CID 63188458
N-[2-(dimethylamino)-2-oxoethyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63188388
3,5-diamino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63694073
2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-4-carboxamide
CID 55226373
3,4,5-trifluoro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 63188707
N-(3-aminopropyl)-N-ethyl-3,4,5-trifluorobenzamide
CID 63183829
N-[2-(dimethylamino)ethyl]-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide
CID 63693090
N-[2-(dimethylamino)ethyl]-2-fluoro-N-methylpyridine-4-carboxamide
CID 63693462
N-[2-(dimethylamino)ethyl]-4-fluoro-N-methyl-3-nitrobenzamide
CID 63693985

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-methylbenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-methylbenzamide (CID 63693984) is N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-methylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-methylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-methylbenzamide is CN(C)CCN(C)C(=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-methylbenzamide?
The InChIKey is YHQPVMLDMNFPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-16(2)4-5-17(3)12(18)8-6-9(13)11(15)10(14)7-8/h6-7H,4-5H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-methylbenzamide?
N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-methylbenzamide has a molecular weight of 260.26 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-methylbenzamide is sourced from PubChem (CID 63693984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).