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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Procainamide
CID 4913
Procainamide Hydrochloride
CID 66068
4-amino-N,N-diethylbenzamide
CID 458760
(4-Aminophenyl)(4-methylpiperazin-1-yl)methanone
CID 231408
4-Amino-N,N-dipropylbenzamide
CID 16641287
4'-Acetamido-3'-bromoacetophenone
CID 3682474
3-bromo-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2100223
4-[[2-[[2-(2-Bromoanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 2507192
Aldh1A3-IN-1
CID 108276331
Benzamide, 4-amino-N-cyclopropyl-3,5-dibromo-
CID 45036
Procaine amide ethobromide
CID 167611
Pronestyl
CID 657275

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).