N'-(2-bromo-4-methylphenyl)-N-(4-chloro-2-methylphenyl)propanediamide

C17H16BrClN2O2 — CID 108955213

IUPACN'-(2-bromo-4-methylphenyl)-N-(4-chloro-2-methylphenyl)propanediamide
SMILESCc1ccc(NC(=O)CC(=O)Nc2ccc(Cl)cc2C)c(Br)c1
InChIInChI=1S/C17H16BrClN2O2/c1-10-3-5-15(13(18)7-10)21-17(23)9-16(22)20-14-6-4-12(19)8-11(14)2/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyHRSMNBQWONVQNC-UHFFFAOYSA-N
MW395.68 g/mol
LogP4.69
Rot. Bonds4

About N'-(2-bromo-4-methylphenyl)-N-(4-chloro-2-methylphenyl)propanediamide

N'-(2-bromo-4-methylphenyl)-N-(4-chloro-2-methylphenyl)propanediamide (PubChem CID 108955213) has the molecular formula C17H16BrClN2O2 and a molecular weight of 395.68 g/mol. Its IUPAC name is N'-(2-bromo-4-methylphenyl)-N-(4-chloro-2-methylphenyl)propanediamide.

Molecular Properties

Compound NameN'-(2-bromo-4-methylphenyl)-N-(4-chloro-2-methylphenyl)propanediamide
PubChem CID108955213
Molecular FormulaC17H16BrClN2O2
Molecular Weight395.68 g/mol
Exact Mass394.01
IUPAC NameN'-(2-bromo-4-methylphenyl)-N-(4-chloro-2-methylphenyl)propanediamide
SMILESCc1ccc(NC(=O)CC(=O)Nc2ccc(Cl)cc2C)c(Br)c1
InChIInChI=1S/C17H16BrClN2O2/c1-10-3-5-15(13(18)7-10)21-17(23)9-16(22)20-14-6-4-12(19)8-11(14)2/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyHRSMNBQWONVQNC-UHFFFAOYSA-N
XLogP4.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.68
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(2-bromo-4-methylphenyl)-N-(4-chloro-2-methylphenyl)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-(2-bromo-4-methylphenyl)-N'-(5-chloro-2-methylphenyl)propanediamide
CID 108955160
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225
N'-(2-bromophenyl)-N-(2,4-dimethylphenyl)propanediamide
CID 108953507
N-(2-bromo-4-methylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide
CID 108511860
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 113000562
1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea
CID 108991303
N-(4-chloro-2-methylphenyl)-N'-propan-2-ylpropanediamide
CID 108940886
4-chloro-N-(4-chloro-2-methylphenyl)-3-oxobutanamide
CID 86085592
N'-(2-bromo-4-methylphenyl)-N-propylpropanediamide
CID 108940742
[2-(2-bromo-4-methylanilino)-2-oxoethyl]-[2-(4-chloroanilino)-2-oxoethyl]-methylazanium
CID 2699212
N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide
CID 81028266

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromo-4-methylphenyl)-N-(4-chloro-2-methylphenyl)propanediamide?
The IUPAC name of N'-(2-bromo-4-methylphenyl)-N-(4-chloro-2-methylphenyl)propanediamide (CID 108955213) is N'-(2-bromo-4-methylphenyl)-N-(4-chloro-2-methylphenyl)propanediamide.
What is the SMILES notation for N'-(2-bromo-4-methylphenyl)-N-(4-chloro-2-methylphenyl)propanediamide?
The canonical SMILES for N'-(2-bromo-4-methylphenyl)-N-(4-chloro-2-methylphenyl)propanediamide is Cc1ccc(NC(=O)CC(=O)Nc2ccc(Cl)cc2C)c(Br)c1.
What is the InChIKey of N'-(2-bromo-4-methylphenyl)-N-(4-chloro-2-methylphenyl)propanediamide?
The InChIKey is HRSMNBQWONVQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O2/c1-10-3-5-15(13(18)7-10)21-17(23)9-16(22)20-14-6-4-12(19)8-11(14)2/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(2-bromo-4-methylphenyl)-N-(4-chloro-2-methylphenyl)propanediamide?
N'-(2-bromo-4-methylphenyl)-N-(4-chloro-2-methylphenyl)propanediamide has a molecular weight of 395.68 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromo-4-methylphenyl)-N-(4-chloro-2-methylphenyl)propanediamide is sourced from PubChem (CID 108955213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).