2-amino-5-bromo-3-[2-(dimethylamino)ethyl-methylamino]benzamide

C12H19BrN4O — CID 89070232

IUPAC2-amino-5-bromo-3-[2-(dimethylamino)ethyl-methylamino]benzamide
SMILESCN(C)CCN(C)c1cc(Br)cc(C(N)=O)c1N
InChIInChI=1S/C12H19BrN4O/c1-16(2)4-5-17(3)10-7-8(13)6-9(11(10)14)12(15)18/h6-7H,4-5,14H2,1-3H3,(H2,15,18)
InChIKeyTUTDNRFWNXGOHG-UHFFFAOYSA-N
MW315.22 g/mol
LogP1.13
Rot. Bonds5

About 2-amino-5-bromo-3-[2-(dimethylamino)ethyl-methylamino]benzamide

2-amino-5-bromo-3-[2-(dimethylamino)ethyl-methylamino]benzamide (PubChem CID 89070232) has the molecular formula C12H19BrN4O and a molecular weight of 315.22 g/mol. Its IUPAC name is 2-amino-5-bromo-3-[2-(dimethylamino)ethyl-methylamino]benzamide.

Molecular Properties

Compound Name2-amino-5-bromo-3-[2-(dimethylamino)ethyl-methylamino]benzamide
PubChem CID89070232
Molecular FormulaC12H19BrN4O
Molecular Weight315.22 g/mol
Exact Mass314.07
IUPAC Name2-amino-5-bromo-3-[2-(dimethylamino)ethyl-methylamino]benzamide
SMILESCN(C)CCN(C)c1cc(Br)cc(C(N)=O)c1N
InChIInChI=1S/C12H19BrN4O/c1-16(2)4-5-17(3)10-7-8(13)6-9(11(10)14)12(15)18/h6-7H,4-5,14H2,1-3H3,(H2,15,18)
InChIKeyTUTDNRFWNXGOHG-UHFFFAOYSA-N
XLogP1.13
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[2-(dimethylamino)ethyl-methylamino]benzamide
CID 115546160
3-(4-bromo-2-carbamoyl-N-methylanilino)propanoic acid
CID 114890015
2-amino-4-bromo-5-[methyl(2-methylsulfonylethyl)amino]benzamide
CID 114278338
4-bromo-2-[2-(dimethylamino)ethyl-methylamino]benzaldehyde
CID 63695233
4-bromo-2-fluoro-6-[3-hydroxybutyl(methyl)amino]benzamide
CID 133441604
1-[5-bromo-2-[methyl(propyl)amino]phenyl]ethanone
CID 82967352
4-bromo-1-N-[2-(dimethylamino)ethyl]-5-fluoro-1-N-methylbenzene-1,2-diamine
CID 66111537
ethyl 5-amino-2-[2-(dimethylamino)ethyl-methylamino]benzoate
CID 63701067
5-bromo-2-[methyl(propyl)amino]benzenecarbothioamide
CID 114891329
5-bromo-2-[2-(dimethylamino)ethyl-propylamino]benzenecarbothioamide
CID 114891660
2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 114372357
2-[3-bromo-4-carbamoyl-N-[2-(dimethylamino)ethyl]anilino]acetic acid
CID 107424804

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-3-[2-(dimethylamino)ethyl-methylamino]benzamide?
The IUPAC name of 2-amino-5-bromo-3-[2-(dimethylamino)ethyl-methylamino]benzamide (CID 89070232) is 2-amino-5-bromo-3-[2-(dimethylamino)ethyl-methylamino]benzamide.
What is the SMILES notation for 2-amino-5-bromo-3-[2-(dimethylamino)ethyl-methylamino]benzamide?
The canonical SMILES for 2-amino-5-bromo-3-[2-(dimethylamino)ethyl-methylamino]benzamide is CN(C)CCN(C)c1cc(Br)cc(C(N)=O)c1N.
What is the InChIKey of 2-amino-5-bromo-3-[2-(dimethylamino)ethyl-methylamino]benzamide?
The InChIKey is TUTDNRFWNXGOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O/c1-16(2)4-5-17(3)10-7-8(13)6-9(11(10)14)12(15)18/h6-7H,4-5,14H2,1-3H3,(H2,15,18).
What are the key properties of 2-amino-5-bromo-3-[2-(dimethylamino)ethyl-methylamino]benzamide?
2-amino-5-bromo-3-[2-(dimethylamino)ethyl-methylamino]benzamide has a molecular weight of 315.22 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-3-[2-(dimethylamino)ethyl-methylamino]benzamide is sourced from PubChem (CID 89070232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).