5-bromo-N-[2-(diethylamino)ethyl]-2-fluorobenzamide

C13H18BrFN2O — CID 24691608

IUPAC5-bromo-N-[2-(diethylamino)ethyl]-2-fluorobenzamide
SMILESCCN(CC)CCNC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C13H18BrFN2O/c1-3-17(4-2)8-7-16-13(18)11-9-10(14)5-6-12(11)15/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyXDICLNAPVZDIHX-UHFFFAOYSA-N
MW317.20 g/mol
LogP2.66
Rot. Bonds6

About 5-bromo-N-[2-(diethylamino)ethyl]-2-fluorobenzamide

5-bromo-N-[2-(diethylamino)ethyl]-2-fluorobenzamide (PubChem CID 24691608) has the molecular formula C13H18BrFN2O and a molecular weight of 317.20 g/mol. Its IUPAC name is 5-bromo-N-[2-(diethylamino)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-[2-(diethylamino)ethyl]-2-fluorobenzamide
PubChem CID24691608
Molecular FormulaC13H18BrFN2O
Molecular Weight317.20 g/mol
Exact Mass316.06
IUPAC Name5-bromo-N-[2-(diethylamino)ethyl]-2-fluorobenzamide
SMILESCCN(CC)CCNC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C13H18BrFN2O/c1-3-17(4-2)8-7-16-13(18)11-9-10(14)5-6-12(11)15/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyXDICLNAPVZDIHX-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(2-amino-2-oxoethyl)-5-bromo-2-fluorobenzamide
CID 9296512
3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
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N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-2-fluorobenzamide
CID 29369017
5-bromo-N-[2-(diethylamino)ethyl]-2-(4-iodo-2-methylanilino)benzamide
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CID 55090844

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(diethylamino)ethyl]-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-[2-(diethylamino)ethyl]-2-fluorobenzamide (CID 24691608) is 5-bromo-N-[2-(diethylamino)ethyl]-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-[2-(diethylamino)ethyl]-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-[2-(diethylamino)ethyl]-2-fluorobenzamide is CCN(CC)CCNC(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N-[2-(diethylamino)ethyl]-2-fluorobenzamide?
The InChIKey is XDICLNAPVZDIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O/c1-3-17(4-2)8-7-16-13(18)11-9-10(14)5-6-12(11)15/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,18).
What are the key properties of 5-bromo-N-[2-(diethylamino)ethyl]-2-fluorobenzamide?
5-bromo-N-[2-(diethylamino)ethyl]-2-fluorobenzamide has a molecular weight of 317.20 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(diethylamino)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 24691608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).