N-[2-(dimethylamino)ethyl]-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide

C13H16F4N2O — CID 63693090

IUPACN-[2-(dimethylamino)ethyl]-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide
SMILESCN(C)CCN(C)C(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F4N2O/c1-18(2)6-7-19(3)12(20)9-4-5-11(14)10(8-9)13(15,16)17/h4-5,8H,6-7H2,1-3H3
InChIKeyWOODFCZDEBPQNA-UHFFFAOYSA-N
MW292.28 g/mol
LogP2.48
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide

N-[2-(dimethylamino)ethyl]-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide (PubChem CID 63693090) has the molecular formula C13H16F4N2O and a molecular weight of 292.28 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide
PubChem CID63693090
Molecular FormulaC13H16F4N2O
Molecular Weight292.28 g/mol
Exact Mass292.12
IUPAC NameN-[2-(dimethylamino)ethyl]-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide
SMILESCN(C)CCN(C)C(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F4N2O/c1-18(2)6-7-19(3)12(20)9-4-5-11(14)10(8-9)13(15,16)17/h4-5,8H,6-7H2,1-3H3
InChIKeyWOODFCZDEBPQNA-UHFFFAOYSA-N
XLogP2.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloroethyl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide
CID 63391762
N-[2-(dimethylamino)ethyl]-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide
CID 63726381
3-(dimethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]propan-1-one
CID 107288258
4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-methylbenzamide
CID 55228481
N-[2-(dimethylamino)ethyl]-4-fluoro-N-methyl-3-nitrobenzamide
CID 63693985
N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63693984
N-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide
CID 63209165
4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64996833
N-[2-(dimethylamino)ethyl]-2-fluoro-N-methylpyridine-4-carboxamide
CID 63693462
4-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-sulfanylbenzamide
CID 107034188
4-bromo-N-(3-hydroxybutyl)-N-methyl-3-(trifluoromethyl)benzamide
CID 115735357
4-fluoro-3-(trifluoromethyl)benzoate
CID 6921666

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide (CID 63693090) is N-[2-(dimethylamino)ethyl]-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide is CN(C)CCN(C)C(=O)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide?
The InChIKey is WOODFCZDEBPQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O/c1-18(2)6-7-19(3)12(20)9-4-5-11(14)10(8-9)13(15,16)17/h4-5,8H,6-7H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide?
N-[2-(dimethylamino)ethyl]-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide has a molecular weight of 292.28 g/mol, XLogP of 2.48, 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]-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 63693090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).