2,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]benzamide

C11H14Br2N2O — CID 114368349

IUPAC2,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]benzamide
SMILESCNCCN(C)C(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H14Br2N2O/c1-14-5-6-15(2)11(16)9-7-8(12)3-4-10(9)13/h3-4,7,14H,5-6H2,1-2H3
InChIKeyVLBRLIJPTKDPII-UHFFFAOYSA-N
MW350.05 g/mol
LogP2.50
Rot. Bonds4

About 2,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]benzamide

2,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]benzamide (PubChem CID 114368349) has the molecular formula C11H14Br2N2O and a molecular weight of 350.05 g/mol. Its IUPAC name is 2,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]benzamide
PubChem CID114368349
Molecular FormulaC11H14Br2N2O
Molecular Weight350.05 g/mol
Exact Mass347.95
IUPAC Name2,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]benzamide
SMILESCNCCN(C)C(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H14Br2N2O/c1-14-5-6-15(2)11(16)9-7-8(12)3-4-10(9)13/h3-4,7,14H,5-6H2,1-2H3
InChIKeyVLBRLIJPTKDPII-UHFFFAOYSA-N
XLogP2.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.05
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 114372357
2-[(2,5-dibromobenzoyl)-methylamino]acetic acid
CID 114367825
2,5-dibromo-N-(2-bromopropyl)-N-methylbenzamide
CID 114375651
4-bromo-3-methoxy-N-methyl-N-[2-(methylamino)ethyl]benzamide
CID 67216049
2,5-dibromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzamide
CID 104920627
4,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 80537078
5-bromo-N-butyl-N,2-dimethylbenzamide
CID 65306915
2,5-dibromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide
CID 114370914
2-chloro-5-hydroxy-N-methyl-N-[2-(methylamino)ethyl]benzamide
CID 106500873
N-methyl-N,2-bis[2-(methylamino)ethyl]benzamide
CID 104547950
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500891
2-bromo-N-(2-bromoethyl)-N,5-dimethylbenzamide
CID 81117833

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]benzamide?
The IUPAC name of 2,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]benzamide (CID 114368349) is 2,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]benzamide.
What is the SMILES notation for 2,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]benzamide?
The canonical SMILES for 2,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]benzamide is CNCCN(C)C(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]benzamide?
The InChIKey is VLBRLIJPTKDPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2O/c1-14-5-6-15(2)11(16)9-7-8(12)3-4-10(9)13/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of 2,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]benzamide?
2,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]benzamide has a molecular weight of 350.05 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]benzamide is sourced from PubChem (CID 114368349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).