5-bromo-N-[3-(dimethylamino)phenyl]-2-methylbenzamide

C16H17BrN2O — CID 115377789

IUPAC5-bromo-N-[3-(dimethylamino)phenyl]-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)Nc1cccc(N(C)C)c1
InChIInChI=1S/C16H17BrN2O/c1-11-7-8-12(17)9-15(11)16(20)18-13-5-4-6-14(10-13)19(2)3/h4-10H,1-3H3,(H,18,20)
InChIKeyFMUULMYYYJFDNU-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.08
Rot. Bonds3

About 5-bromo-N-[3-(dimethylamino)phenyl]-2-methylbenzamide

5-bromo-N-[3-(dimethylamino)phenyl]-2-methylbenzamide (PubChem CID 115377789) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 5-bromo-N-[3-(dimethylamino)phenyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-[3-(dimethylamino)phenyl]-2-methylbenzamide
PubChem CID115377789
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name5-bromo-N-[3-(dimethylamino)phenyl]-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)Nc1cccc(N(C)C)c1
InChIInChI=1S/C16H17BrN2O/c1-11-7-8-12(17)9-15(11)16(20)18-13-5-4-6-14(10-13)19(2)3/h4-10H,1-3H3,(H,18,20)
InChIKeyFMUULMYYYJFDNU-UHFFFAOYSA-N
XLogP4.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

Analyze 5-bromo-N-[3-(dimethylamino)phenyl]-2-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

5-bromo-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide
CID 78906644
5-bromo-N-(3-iodophenyl)-2-methylbenzamide
CID 65308257
5-bromo-N-(3-fluorophenyl)-2-methylbenzamide
CID 65306774
3-[(5-bromo-2-methylbenzoyl)amino]benzoic acid
CID 65306133
N-[3-(dimethylamino)phenyl]-2-fluoro-3-methylbenzamide
CID 115376734
methyl 3-[(5-bromo-2-methylbenzoyl)amino]benzoate
CID 65311803
4-amino-N-[3-(dimethylamino)phenyl]-2-methylbenzamide
CID 115375733
5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide
CID 65307111
5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide
CID 65307918
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide
CID 78912773
2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(dimethylamino)phenyl]-2-methylbenzamide?
The IUPAC name of 5-bromo-N-[3-(dimethylamino)phenyl]-2-methylbenzamide (CID 115377789) is 5-bromo-N-[3-(dimethylamino)phenyl]-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-[3-(dimethylamino)phenyl]-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-[3-(dimethylamino)phenyl]-2-methylbenzamide is Cc1ccc(Br)cc1C(=O)Nc1cccc(N(C)C)c1.
What is the InChIKey of 5-bromo-N-[3-(dimethylamino)phenyl]-2-methylbenzamide?
The InChIKey is FMUULMYYYJFDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11-7-8-12(17)9-15(11)16(20)18-13-5-4-6-14(10-13)19(2)3/h4-10H,1-3H3,(H,18,20).
What are the key properties of 5-bromo-N-[3-(dimethylamino)phenyl]-2-methylbenzamide?
5-bromo-N-[3-(dimethylamino)phenyl]-2-methylbenzamide has a molecular weight of 333.23 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(dimethylamino)phenyl]-2-methylbenzamide is sourced from PubChem (CID 115377789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).