2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propanamide

C15H23BrFN3O — CID 82953788

IUPAC2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propanamide
SMILESCCN(CC)CCNC(C)(C(N)=O)c1cc(Br)ccc1F
InChIInChI=1S/C15H23BrFN3O/c1-4-20(5-2)9-8-19-15(3,14(18)21)12-10-11(16)6-7-13(12)17/h6-7,10,19H,4-5,8-9H2,1-3H3,(H2,18,21)
InChIKeyWHGHMMGBHWVKSA-UHFFFAOYSA-N
MW360.27 g/mol
LogP2.22
Rot. Bonds8

About 2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propanamide

2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propanamide (PubChem CID 82953788) has the molecular formula C15H23BrFN3O and a molecular weight of 360.27 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propanamide.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propanamide
PubChem CID82953788
Molecular FormulaC15H23BrFN3O
Molecular Weight360.27 g/mol
Exact Mass359.10
IUPAC Name2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propanamide
SMILESCCN(CC)CCNC(C)(C(N)=O)c1cc(Br)ccc1F
InChIInChI=1S/C15H23BrFN3O/c1-4-20(5-2)9-8-19-15(3,14(18)21)12-10-11(16)6-7-13(12)17/h6-7,10,19H,4-5,8-9H2,1-3H3,(H2,18,21)
InChIKeyWHGHMMGBHWVKSA-UHFFFAOYSA-N
XLogP2.22
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 82967482
2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)propanamide
CID 60995482
2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol
CID 82973754
2-[2-(diethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanamide
CID 60995327
2-[2-(diethylamino)ethylamino]-2-(2-methoxyphenyl)propanamide
CID 60995329
5-bromo-N-[2-(diethylamino)ethyl]-2-fluorobenzamide
CID 24691608
2-[2-(diethylamino)ethylamino]-2-(4-ethylphenyl)propanamide
CID 60995324
2-(4-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propanenitrile
CID 82967784
2-(5-bromo-2-fluorophenyl)-2-(2-methylanilino)propanamide
CID 82956528
2-(2-azidoethylamino)-2-(4-bromo-2-fluorophenyl)propanamide
CID 82967722
2-(4-bromo-2-chlorophenyl)-2-(ethylamino)propanamide
CID 82773747
2-(4-bromophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 54891318

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propanamide?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propanamide (CID 82953788) is 2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propanamide.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propanamide?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propanamide is CCN(CC)CCNC(C)(C(N)=O)c1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propanamide?
The InChIKey is WHGHMMGBHWVKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFN3O/c1-4-20(5-2)9-8-19-15(3,14(18)21)12-10-11(16)6-7-13(12)17/h6-7,10,19H,4-5,8-9H2,1-3H3,(H2,18,21).
What are the key properties of 2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propanamide?
2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propanamide has a molecular weight of 360.27 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propanamide is sourced from PubChem (CID 82953788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).