N-(4-bromophenyl)-N'-(2,3-dimethylphenyl)propanediamide

C17H17BrN2O2 — CID 108953863

IUPACN-(4-bromophenyl)-N'-(2,3-dimethylphenyl)propanediamide
SMILESCc1cccc(NC(=O)CC(=O)Nc2ccc(Br)cc2)c1C
InChIInChI=1S/C17H17BrN2O2/c1-11-4-3-5-15(12(11)2)20-17(22)10-16(21)19-14-8-6-13(18)7-9-14/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyBOBDLRZRFXMPMC-UHFFFAOYSA-N
MW361.24 g/mol
LogP4.03
Rot. Bonds4

About N-(4-bromophenyl)-N'-(2,3-dimethylphenyl)propanediamide

N-(4-bromophenyl)-N'-(2,3-dimethylphenyl)propanediamide (PubChem CID 108953863) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-N'-(2,3-dimethylphenyl)propanediamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N'-(2,3-dimethylphenyl)propanediamide
PubChem CID108953863
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC NameN-(4-bromophenyl)-N'-(2,3-dimethylphenyl)propanediamide
SMILESCc1cccc(NC(=O)CC(=O)Nc2ccc(Br)cc2)c1C
InChIInChI=1S/C17H17BrN2O2/c1-11-4-3-5-15(12(11)2)20-17(22)10-16(21)19-14-8-6-13(18)7-9-14/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyBOBDLRZRFXMPMC-UHFFFAOYSA-N
XLogP4.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-(4-bromophenyl)-N'-(2,3-dimethylphenyl)propanediamide 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

N-(3-bromo-4-methylphenyl)-N'-(2,3-dimethylphenyl)propanediamide
CID 108953864
N-[4-(dimethylamino)phenyl]-N'-(2,3-dimethylphenyl)propanediamide
CID 108953884
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
2-[(4-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2657308
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
N'-tert-butyl-N-(2,3-dimethylphenyl)propanediamide
CID 108951456
N-(4-bromophenyl)-N'-(2-tert-butylphenyl)propanediamide
CID 108954637
methyl 3-(2,3-dimethylanilino)-3-oxopropanoate
CID 14278404
2-(4-bromo-3-methylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9099453
N-(3-cyanophenyl)-N'-(2,3-dimethylphenyl)propanediamide
CID 108953919
2-(4-bromo-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 126030274
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 9140402

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N'-(2,3-dimethylphenyl)propanediamide?
The IUPAC name of N-(4-bromophenyl)-N'-(2,3-dimethylphenyl)propanediamide (CID 108953863) is N-(4-bromophenyl)-N'-(2,3-dimethylphenyl)propanediamide.
What is the SMILES notation for N-(4-bromophenyl)-N'-(2,3-dimethylphenyl)propanediamide?
The canonical SMILES for N-(4-bromophenyl)-N'-(2,3-dimethylphenyl)propanediamide is Cc1cccc(NC(=O)CC(=O)Nc2ccc(Br)cc2)c1C.
What is the InChIKey of N-(4-bromophenyl)-N'-(2,3-dimethylphenyl)propanediamide?
The InChIKey is BOBDLRZRFXMPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-11-4-3-5-15(12(11)2)20-17(22)10-16(21)19-14-8-6-13(18)7-9-14/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-bromophenyl)-N'-(2,3-dimethylphenyl)propanediamide?
N-(4-bromophenyl)-N'-(2,3-dimethylphenyl)propanediamide has a molecular weight of 361.24 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N'-(2,3-dimethylphenyl)propanediamide is sourced from PubChem (CID 108953863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).