N-(3-bromo-4-methylphenyl)-N'-(2,3-dimethylphenyl)propanediamide

C18H19BrN2O2 — CID 108953864

IUPACN-(3-bromo-4-methylphenyl)-N'-(2,3-dimethylphenyl)propanediamide
SMILESCc1ccc(NC(=O)CC(=O)Nc2cccc(C)c2C)cc1Br
InChIInChI=1S/C18H19BrN2O2/c1-11-5-4-6-16(13(11)3)21-18(23)10-17(22)20-14-8-7-12(2)15(19)9-14/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyLCVVDQKBGUARAD-UHFFFAOYSA-N
MW375.27 g/mol
LogP4.34
Rot. Bonds4

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

N-(3-bromo-4-methylphenyl)-N'-(2,3-dimethylphenyl)propanediamide (PubChem CID 108953864) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-N'-(2,3-dimethylphenyl)propanediamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-N'-(2,3-dimethylphenyl)propanediamide
PubChem CID108953864
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC NameN-(3-bromo-4-methylphenyl)-N'-(2,3-dimethylphenyl)propanediamide
SMILESCc1ccc(NC(=O)CC(=O)Nc2cccc(C)c2C)cc1Br
InChIInChI=1S/C18H19BrN2O2/c1-11-5-4-6-16(13(11)3)21-18(23)10-17(22)20-14-8-7-12(2)15(19)9-14/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyLCVVDQKBGUARAD-UHFFFAOYSA-N
XLogP4.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-bromo-4-methylphenyl)-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-(4-bromophenyl)-N'-(2,3-dimethylphenyl)propanediamide
CID 108953863
3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide
CID 2062628
N-(3-bromo-4-methylphenyl)-3-(2-methylanilino)propanamide
CID 109034087
2-(4-bromo-3-methylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9099453
N-[4-(dimethylamino)phenyl]-N'-(2,3-dimethylphenyl)propanediamide
CID 108953884
N-(3-cyanophenyl)-N'-(2,3-dimethylphenyl)propanediamide
CID 108953919
[2-(2,3-dimethylanilino)-2-oxoethyl]-[2-(3,4-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9287839
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928
3-amino-N-(3-bromo-4-methylphenyl)-3-sulfanylidenepropanamide
CID 63334451
methyl 3-(2,3-dimethylanilino)-3-oxopropanoate
CID 14278404
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54816178

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-N'-(2,3-dimethylphenyl)propanediamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-N'-(2,3-dimethylphenyl)propanediamide (CID 108953864) is N-(3-bromo-4-methylphenyl)-N'-(2,3-dimethylphenyl)propanediamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-N'-(2,3-dimethylphenyl)propanediamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-N'-(2,3-dimethylphenyl)propanediamide is Cc1ccc(NC(=O)CC(=O)Nc2cccc(C)c2C)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-N'-(2,3-dimethylphenyl)propanediamide?
The InChIKey is LCVVDQKBGUARAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-11-5-4-6-16(13(11)3)21-18(23)10-17(22)20-14-8-7-12(2)15(19)9-14/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-bromo-4-methylphenyl)-N'-(2,3-dimethylphenyl)propanediamide?
N-(3-bromo-4-methylphenyl)-N'-(2,3-dimethylphenyl)propanediamide has a molecular weight of 375.27 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-N'-(2,3-dimethylphenyl)propanediamide is sourced from PubChem (CID 108953864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).