N-[2-(dimethylamino)ethyl]-4-fluorobenzamide

C11H15FN2O — CID 756595

IUPACN-[2-(dimethylamino)ethyl]-4-fluorobenzamide
SMILESCN(C)CCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H15FN2O/c1-14(2)8-7-13-11(15)9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3,(H,13,15)
InChIKeyXLSAVXTWRCBMRA-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.12
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-4-fluorobenzamide

N-[2-(dimethylamino)ethyl]-4-fluorobenzamide (PubChem CID 756595) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-fluorobenzamide
PubChem CID756595
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC NameN-[2-(dimethylamino)ethyl]-4-fluorobenzamide
SMILESCN(C)CCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H15FN2O/c1-14(2)8-7-13-11(15)9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3,(H,13,15)
InChIKeyXLSAVXTWRCBMRA-UHFFFAOYSA-N
XLogP1.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.12
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]-4-fluorobenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-fluorobenzamide (CID 756595) is N-[2-(dimethylamino)ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-fluorobenzamide is CN(C)CCNC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-fluorobenzamide?
The InChIKey is XLSAVXTWRCBMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-14(2)8-7-13-11(15)9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3,(H,13,15).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-fluorobenzamide?
N-[2-(dimethylamino)ethyl]-4-fluorobenzamide has a molecular weight of 210.25 g/mol, XLogP of 1.12, 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]-4-fluorobenzamide is sourced from PubChem (CID 756595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).