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

C15H22BrN3O — CID 105417543

IUPAC4-amino-3-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide
SMILESCN(CC1(N(C)C)CCC1)C(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C15H22BrN3O/c1-18(2)15(7-4-8-15)10-19(3)14(20)11-5-6-13(17)12(16)9-11/h5-6,9H,4,7-8,10,17H2,1-3H3
InChIKeyXNSPOZIDNRYNAM-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.59
Rot. Bonds4

About 4-amino-3-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide

4-amino-3-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide (PubChem CID 105417543) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 4-amino-3-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide
PubChem CID105417543
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name4-amino-3-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide
SMILESCN(CC1(N(C)C)CCC1)C(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C15H22BrN3O/c1-18(2)15(7-4-8-15)10-19(3)14(20)11-5-6-13(17)12(16)9-11/h5-6,9H,4,7-8,10,17H2,1-3H3
InChIKeyXNSPOZIDNRYNAM-UHFFFAOYSA-N
XLogP2.59
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide
CID 105418027
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-hydroxy-N-methylbenzamide
CID 105418511
5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-carboxamide
CID 105418295
N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethyl-4-(methylamino)benzamide
CID 105420406
2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide
CID 105416236
2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-N-methylbenzamide
CID 105413428
5-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid
CID 105420013
4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,3-dimethylbenzamide
CID 114946885
4-amino-3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 107734400
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-bromo-4-methoxy-N-methylbenzamide
CID 115272631
4-amino-3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79494740
2-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]benzoic acid
CID 105414289

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide?
The IUPAC name of 4-amino-3-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide (CID 105417543) is 4-amino-3-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide?
The canonical SMILES for 4-amino-3-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide is CN(CC1(N(C)C)CCC1)C(=O)c1ccc(N)c(Br)c1.
What is the InChIKey of 4-amino-3-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide?
The InChIKey is XNSPOZIDNRYNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-18(2)15(7-4-8-15)10-19(3)14(20)11-5-6-13(17)12(16)9-11/h5-6,9H,4,7-8,10,17H2,1-3H3.
What are the key properties of 4-amino-3-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide?
4-amino-3-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide has a molecular weight of 340.27 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide is sourced from PubChem (CID 105417543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).