2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxy-N-methylbenzamide

C18H21BrN2O2 — CID 39952387

IUPAC2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxy-N-methylbenzamide
SMILESCOc1ccc(Br)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C18H21BrN2O2/c1-20(2)14-7-5-13(6-8-14)12-21(3)18(22)16-11-15(23-4)9-10-17(16)19/h5-11H,12H2,1-4H3
InChIKeyOOKCMAQSTHJOOZ-UHFFFAOYSA-N
MW377.28 g/mol
LogP3.80
Rot. Bonds5

About 2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxy-N-methylbenzamide

2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxy-N-methylbenzamide (PubChem CID 39952387) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxy-N-methylbenzamide
PubChem CID39952387
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxy-N-methylbenzamide
SMILESCOc1ccc(Br)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C18H21BrN2O2/c1-20(2)14-7-5-13(6-8-14)12-21(3)18(22)16-11-15(23-4)9-10-17(16)19/h5-11H,12H2,1-4H3
InChIKeyOOKCMAQSTHJOOZ-UHFFFAOYSA-N
XLogP3.80
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxy-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

2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxybenzamide
CID 27887990
2,5-dibromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 114371373
2-bromo-5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 60667390
2-bromo-N-(2-ethoxyethyl)-5-methoxy-N-methylbenzamide
CID 81056379
2-bromo-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-N-methylbenzamide
CID 61026430
2-bromo-5-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 60745117
2-bromo-5-methoxy-N-methyl-N-(3-methylsulfanylpropyl)benzamide
CID 114217626
2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
CID 18111776
2-bromo-5-methoxy-N,N-bis(prop-2-enyl)benzamide
CID 60636105
N-benzyl-2-bromo-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 78796018
2-bromo-5-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 119454534
2-bromo-5-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454533

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxy-N-methylbenzamide?
The IUPAC name of 2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxy-N-methylbenzamide (CID 39952387) is 2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxy-N-methylbenzamide.
What is the SMILES notation for 2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxy-N-methylbenzamide?
The canonical SMILES for 2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxy-N-methylbenzamide is COc1ccc(Br)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1.
What is the InChIKey of 2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxy-N-methylbenzamide?
The InChIKey is OOKCMAQSTHJOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-20(2)14-7-5-13(6-8-14)12-21(3)18(22)16-11-15(23-4)9-10-17(16)19/h5-11H,12H2,1-4H3.
What are the key properties of 2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxy-N-methylbenzamide?
2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxy-N-methylbenzamide has a molecular weight of 377.28 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxy-N-methylbenzamide is sourced from PubChem (CID 39952387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).