N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-3-(methylamino)propanamide

C13H20BrN3O — CID 79196694

IUPACN-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1cc(Br)ccc1N(C)C
InChIInChI=1S/C13H20BrN3O/c1-9(8-15-2)13(18)16-11-7-10(14)5-6-12(11)17(3)4/h5-7,9,15H,8H2,1-4H3,(H,16,18)
InChIKeyGONYEXCFRMFQHO-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.31
Rot. Bonds5

About N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-3-(methylamino)propanamide

N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 79196694) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-3-(methylamino)propanamide
PubChem CID79196694
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC NameN-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1cc(Br)ccc1N(C)C
InChIInChI=1S/C13H20BrN3O/c1-9(8-15-2)13(18)16-11-7-10(14)5-6-12(11)17(3)4/h5-7,9,15H,8H2,1-4H3,(H,16,18)
InChIKeyGONYEXCFRMFQHO-UHFFFAOYSA-N
XLogP2.31
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-bromo-2-(dimethylamino)phenyl]-2-(methylamino)propanamide
CID 62639676
N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropropanamide
CID 43700570
N-(4-bromo-2-ethylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119727073
(2S)-2-amino-N-[5-bromo-2-(dimethylamino)phenyl]butanamide
CID 79024173
N-(4-bromo-2-chlorophenyl)-2-methyl-3-(methylamino)propanamide
CID 79196244
N-[5-bromo-2-(dimethylamino)phenyl]acetamide
CID 60651446
2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-3-methoxypropanamide
CID 81083240
2-[5-bromo-2-(dimethylamino)anilino]propanoic acid
CID 66174739
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
CID 55104508
N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119762963
4-[5-bromo-2-(dimethylamino)anilino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992511
N-[5-bromo-2-(dimethylamino)phenyl]-2-(ethylamino)-2-methylpropanamide
CID 62833937

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-3-(methylamino)propanamide (CID 79196694) is N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)Nc1cc(Br)ccc1N(C)C.
What is the InChIKey of N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is GONYEXCFRMFQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-9(8-15-2)13(18)16-11-7-10(14)5-6-12(11)17(3)4/h5-7,9,15H,8H2,1-4H3,(H,16,18).
What are the key properties of N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-3-(methylamino)propanamide?
N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 314.23 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 79196694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).