2,4-dibromo-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide

C13H18Br2N2O — CID 103882713

IUPAC2,4-dibromo-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
SMILESCC(C)N(C)CCNC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H18Br2N2O/c1-9(2)17(3)7-6-16-13(18)11-5-4-10(14)8-12(11)15/h4-5,8-9H,6-7H2,1-3H3,(H,16,18)
InChIKeyYRSPFDVOSHVURM-UHFFFAOYSA-N
MW378.11 g/mol
LogP3.28
Rot. Bonds5

About 2,4-dibromo-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide

2,4-dibromo-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide (PubChem CID 103882713) has the molecular formula C13H18Br2N2O and a molecular weight of 378.11 g/mol. Its IUPAC name is 2,4-dibromo-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
PubChem CID103882713
Molecular FormulaC13H18Br2N2O
Molecular Weight378.11 g/mol
Exact Mass375.98
IUPAC Name2,4-dibromo-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
SMILESCC(C)N(C)CCNC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H18Br2N2O/c1-9(2)17(3)7-6-16-13(18)11-5-4-10(14)8-12(11)15/h4-5,8-9H,6-7H2,1-3H3,(H,16,18)
InChIKeyYRSPFDVOSHVURM-UHFFFAOYSA-N
XLogP3.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.11
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 65309104
2,4-dibromo-N-(2-methoxyethyl)benzamide
CID 103882043
5-amino-2-bromo-4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62815101
2-bromo-N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-4-fluorobenzamide
CID 95167793
2-hydroxy-4-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62641544
2,4-dibromo-N-(2-bromoethyl)benzamide
CID 107941215
2,4-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 113345159
2-amino-5-hydroxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 107075161
2,4-dibromo-N-(3-methyl-2-oxobutyl)benzamide
CID 104860776
4-bromo-2-hydroxy-N-(2-propan-2-yloxyethyl)benzamide
CID 113429309
3-bromo-4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 113244840
2,4-dibromo-N-[2-(dimethylamino)-3-ethylpentyl]benzamide
CID 107952235

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide?
The IUPAC name of 2,4-dibromo-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide (CID 103882713) is 2,4-dibromo-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide.
What is the SMILES notation for 2,4-dibromo-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide?
The canonical SMILES for 2,4-dibromo-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide is CC(C)N(C)CCNC(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide?
The InChIKey is YRSPFDVOSHVURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2O/c1-9(2)17(3)7-6-16-13(18)11-5-4-10(14)8-12(11)15/h4-5,8-9H,6-7H2,1-3H3,(H,16,18).
What are the key properties of 2,4-dibromo-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide?
2,4-dibromo-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide has a molecular weight of 378.11 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide is sourced from PubChem (CID 103882713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).