5-bromo-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide

C14H21BrN2O — CID 65309104

IUPAC5-bromo-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
SMILESCc1ccc(Br)cc1C(=O)NCCN(C)C(C)C
InChIInChI=1S/C14H21BrN2O/c1-10(2)17(4)8-7-16-14(18)13-9-12(15)6-5-11(13)3/h5-6,9-10H,7-8H2,1-4H3,(H,16,18)
InChIKeyYMANDOKGVAVFQL-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.83
Rot. Bonds5

About 5-bromo-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide

5-bromo-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide (PubChem CID 65309104) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
PubChem CID65309104
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name5-bromo-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
SMILESCc1ccc(Br)cc1C(=O)NCCN(C)C(C)C
InChIInChI=1S/C14H21BrN2O/c1-10(2)17(4)8-7-16-14(18)13-9-12(15)6-5-11(13)3/h5-6,9-10H,7-8H2,1-4H3,(H,16,18)
InChIKeyYMANDOKGVAVFQL-UHFFFAOYSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 103882713
5-amino-2,4-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 102705513
5-bromo-2-methyl-N-(2-methylpropyl)benzamide
CID 65308117
2-hydroxy-4-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62641544
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500891
2-amino-5-hydroxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 107075161
5-bromo-N-(2-ethoxypropyl)-2-methylbenzamide
CID 115648997
5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide
CID 79078701
N-(2-amino-3-methylbutyl)-5-bromo-2-methylbenzamide
CID 65311918
5-bromo-N-(3,3-dimethyl-2-oxobutyl)-2-methylbenzamide
CID 65307856
5-bromo-2-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 65309624
N-(3-amino-3-sulfanylidenepropyl)-5-bromo-2-methylbenzamide
CID 65308301

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide?
The IUPAC name of 5-bromo-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide (CID 65309104) is 5-bromo-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide.
What is the SMILES notation for 5-bromo-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide?
The canonical SMILES for 5-bromo-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide is Cc1ccc(Br)cc1C(=O)NCCN(C)C(C)C.
What is the InChIKey of 5-bromo-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide?
The InChIKey is YMANDOKGVAVFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-10(2)17(4)8-7-16-14(18)13-9-12(15)6-5-11(13)3/h5-6,9-10H,7-8H2,1-4H3,(H,16,18).
What are the key properties of 5-bromo-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide?
5-bromo-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide has a molecular weight of 313.24 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide is sourced from PubChem (CID 65309104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).