N-[2-(dimethylamino)ethyl]-2-fluoro-6-(trifluoromethyl)benzamide

C12H14F4N2O — CID 172648766

IUPACN-[2-(dimethylamino)ethyl]-2-fluoro-6-(trifluoromethyl)benzamide
SMILESCN(C)CCNC(=O)c1c(F)cccc1C(F)(F)F
InChIInChI=1S/C12H14F4N2O/c1-18(2)7-6-17-11(19)10-8(12(14,15)16)4-3-5-9(10)13/h3-5H,6-7H2,1-2H3,(H,17,19)
InChIKeyNDJGAMNUWNXEMW-UHFFFAOYSA-N
MW278.25 g/mol
LogP2.14
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-2-fluoro-6-(trifluoromethyl)benzamide

N-[2-(dimethylamino)ethyl]-2-fluoro-6-(trifluoromethyl)benzamide (PubChem CID 172648766) has the molecular formula C12H14F4N2O and a molecular weight of 278.25 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-fluoro-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-fluoro-6-(trifluoromethyl)benzamide
PubChem CID172648766
Molecular FormulaC12H14F4N2O
Molecular Weight278.25 g/mol
Exact Mass278.10
IUPAC NameN-[2-(dimethylamino)ethyl]-2-fluoro-6-(trifluoromethyl)benzamide
SMILESCN(C)CCNC(=O)c1c(F)cccc1C(F)(F)F
InChIInChI=1S/C12H14F4N2O/c1-18(2)7-6-17-11(19)10-8(12(14,15)16)4-3-5-9(10)13/h3-5H,6-7H2,1-2H3,(H,17,19)
InChIKeyNDJGAMNUWNXEMW-UHFFFAOYSA-N
XLogP2.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-fluoro-6-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-fluoro-6-(trifluoromethyl)benzamide (CID 172648766) is N-[2-(dimethylamino)ethyl]-2-fluoro-6-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-fluoro-6-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-fluoro-6-(trifluoromethyl)benzamide is CN(C)CCNC(=O)c1c(F)cccc1C(F)(F)F.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-fluoro-6-(trifluoromethyl)benzamide?
The InChIKey is NDJGAMNUWNXEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O/c1-18(2)7-6-17-11(19)10-8(12(14,15)16)4-3-5-9(10)13/h3-5H,6-7H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-fluoro-6-(trifluoromethyl)benzamide?
N-[2-(dimethylamino)ethyl]-2-fluoro-6-(trifluoromethyl)benzamide has a molecular weight of 278.25 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-fluoro-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 172648766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).