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

C12H18BrN3O — CID 62639676

IUPACN-[5-bromo-2-(dimethylamino)phenyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1cc(Br)ccc1N(C)C
InChIInChI=1S/C12H18BrN3O/c1-8(14-2)12(17)15-10-7-9(13)5-6-11(10)16(3)4/h5-8,14H,1-4H3,(H,15,17)
InChIKeyXMBSQUJLZLSTPS-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.06
Rot. Bonds4

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

N-[5-bromo-2-(dimethylamino)phenyl]-2-(methylamino)propanamide (PubChem CID 62639676) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is N-[5-bromo-2-(dimethylamino)phenyl]-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[5-bromo-2-(dimethylamino)phenyl]-2-(methylamino)propanamide
PubChem CID62639676
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC NameN-[5-bromo-2-(dimethylamino)phenyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1cc(Br)ccc1N(C)C
InChIInChI=1S/C12H18BrN3O/c1-8(14-2)12(17)15-10-7-9(13)5-6-11(10)16(3)4/h5-8,14H,1-4H3,(H,15,17)
InChIKeyXMBSQUJLZLSTPS-UHFFFAOYSA-N
XLogP2.06
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropropanamide
CID 43700570
N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79196694
N-[5-bromo-2-(dimethylamino)phenyl]acetamide
CID 60651446
(2S)-2-amino-N-[5-bromo-2-(dimethylamino)phenyl]butanamide
CID 79024173
2-[5-bromo-2-(dimethylamino)anilino]propanoic acid
CID 66174739
2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-3-methoxypropanamide
CID 81083240
4-[5-bromo-2-(dimethylamino)anilino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992511
2-amino-N-[5-bromo-2-(dimethylamino)phenyl]benzamide
CID 61213111
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide
CID 43700084
N-[5-bromo-2-(dimethylamino)phenyl]-3-(ethylamino)propanamide
CID 62833936
N-[5-bromo-2-(dimethylamino)phenyl]-2-(ethylamino)-2-methylpropanamide
CID 62833937
4-bromo-N-[5-bromo-2-(dimethylamino)phenyl]-3-fluorobenzamide
CID 63526166

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(dimethylamino)phenyl]-2-(methylamino)propanamide?
The IUPAC name of N-[5-bromo-2-(dimethylamino)phenyl]-2-(methylamino)propanamide (CID 62639676) is N-[5-bromo-2-(dimethylamino)phenyl]-2-(methylamino)propanamide.
What is the SMILES notation for N-[5-bromo-2-(dimethylamino)phenyl]-2-(methylamino)propanamide?
The canonical SMILES for N-[5-bromo-2-(dimethylamino)phenyl]-2-(methylamino)propanamide is CNC(C)C(=O)Nc1cc(Br)ccc1N(C)C.
What is the InChIKey of N-[5-bromo-2-(dimethylamino)phenyl]-2-(methylamino)propanamide?
The InChIKey is XMBSQUJLZLSTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-8(14-2)12(17)15-10-7-9(13)5-6-11(10)16(3)4/h5-8,14H,1-4H3,(H,15,17).
What are the key properties of N-[5-bromo-2-(dimethylamino)phenyl]-2-(methylamino)propanamide?
N-[5-bromo-2-(dimethylamino)phenyl]-2-(methylamino)propanamide has a molecular weight of 300.20 g/mol, XLogP of 2.06, 4 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-(methylamino)propanamide is sourced from PubChem (CID 62639676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).