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

C13H19BrFN3O — CID 82967482

IUPAC2-(5-bromo-2-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
SMILESCN(C)CCNC(C)(C(N)=O)c1cc(Br)ccc1F
InChIInChI=1S/C13H19BrFN3O/c1-13(12(16)19,17-6-7-18(2)3)10-8-9(14)4-5-11(10)15/h4-5,8,17H,6-7H2,1-3H3,(H2,16,19)
InChIKeyJZSLJIISHFCWKM-UHFFFAOYSA-N
MW332.22 g/mol
LogP1.44
Rot. Bonds6

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

2-(5-bromo-2-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide (PubChem CID 82967482) has the molecular formula C13H19BrFN3O and a molecular weight of 332.22 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
PubChem CID82967482
Molecular FormulaC13H19BrFN3O
Molecular Weight332.22 g/mol
Exact Mass331.07
IUPAC Name2-(5-bromo-2-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
SMILESCN(C)CCNC(C)(C(N)=O)c1cc(Br)ccc1F
InChIInChI=1S/C13H19BrFN3O/c1-13(12(16)19,17-6-7-18(2)3)10-8-9(14)4-5-11(10)15/h4-5,8,17H,6-7H2,1-3H3,(H2,16,19)
InChIKeyJZSLJIISHFCWKM-UHFFFAOYSA-N
XLogP1.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.22
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propanamide
CID 82953788
2-(4-bromophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 54891318
2-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 54891609
2-(3-chloro-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 54891418
2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 104653361
N-(5-bromo-2-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 43555732
2-[2-(dimethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]propanamide
CID 60995360
2-(5-bromo-2-fluorophenyl)-2-(2-methylanilino)propanamide
CID 82956528
2-(2-azidoethylamino)-2-(4-bromo-2-fluorophenyl)propanamide
CID 82967722
2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)propanamide
CID 60995482
2-[2-(dimethylamino)ethylamino]-2-(2-methoxy-5-methylphenyl)propanamide
CID 60992003
2-[2-(dimethylamino)ethylamino]-2-(2,4,6-trimethylphenyl)propanamide
CID 60991164

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide (CID 82967482) is 2-(5-bromo-2-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide is CN(C)CCNC(C)(C(N)=O)c1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide?
The InChIKey is JZSLJIISHFCWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN3O/c1-13(12(16)19,17-6-7-18(2)3)10-8-9(14)4-5-11(10)15/h4-5,8,17H,6-7H2,1-3H3,(H2,16,19).
What are the key properties of 2-(5-bromo-2-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide?
2-(5-bromo-2-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide has a molecular weight of 332.22 g/mol, XLogP of 1.44, 6 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-(dimethylamino)ethylamino]propanamide is sourced from PubChem (CID 82967482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).