3-amino-5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbenzamide

C15H22BrN3O — CID 107873217

IUPAC3-amino-5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)NCC1(N(C)C)CCC1
InChIInChI=1S/C15H22BrN3O/c1-10-12(7-11(16)8-13(10)17)14(20)18-9-15(19(2)3)5-4-6-15/h7-8H,4-6,9,17H2,1-3H3,(H,18,20)
InChIKeyLLNGQVMZVOAPIR-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.55
Rot. Bonds4

About 3-amino-5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbenzamide

3-amino-5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbenzamide (PubChem CID 107873217) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 3-amino-5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbenzamide
PubChem CID107873217
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name3-amino-5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)NCC1(N(C)C)CCC1
InChIInChI=1S/C15H22BrN3O/c1-10-12(7-11(16)8-13(10)17)14(20)18-9-15(19(2)3)5-4-6-15/h7-8H,4-6,9,17H2,1-3H3,(H,18,20)
InChIKeyLLNGQVMZVOAPIR-UHFFFAOYSA-N
XLogP2.55
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,4-dimethylbenzamide
CID 102705855
3-amino-5-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbenzamide
CID 107872185
4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methylpyridine-3-carboxamide
CID 83115454
5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(ethylamino)pyridine-3-carboxamide
CID 105420299
3-amino-5-bromo-N-(2-methoxyethyl)-2-methylbenzamide
CID 107871969
4-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-fluorobenzamide
CID 18165179
3-amino-5-bromo-N,2-dimethyl-N-prop-2-ynylbenzamide
CID 107873004
3-amino-5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107873229
3-amino-5-bromo-N-tert-butyl-2-methylbenzamide
CID 107871965
4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrrole-2-carboxamide
CID 105418231
3-amino-5-bromo-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide
CID 107872306
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)benzamide
CID 105419225

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbenzamide?
The IUPAC name of 3-amino-5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbenzamide (CID 107873217) is 3-amino-5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbenzamide.
What is the SMILES notation for 3-amino-5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbenzamide?
The canonical SMILES for 3-amino-5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbenzamide is Cc1c(N)cc(Br)cc1C(=O)NCC1(N(C)C)CCC1.
What is the InChIKey of 3-amino-5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbenzamide?
The InChIKey is LLNGQVMZVOAPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-10-12(7-11(16)8-13(10)17)14(20)18-9-15(19(2)3)5-4-6-15/h7-8H,4-6,9,17H2,1-3H3,(H,18,20).
What are the key properties of 3-amino-5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbenzamide?
3-amino-5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbenzamide has a molecular weight of 340.27 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbenzamide is sourced from PubChem (CID 107873217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).