N-(2-bromo-4-methylphenyl)-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide

C18H18BrFN2O2 — CID 108968743

IUPACN-(2-bromo-4-methylphenyl)-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide
SMILESCc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccccc2F)c(Br)c1
InChIInChI=1S/C18H18BrFN2O2/c1-11-8-9-14(12(19)10-11)21-16(23)18(2,3)17(24)22-15-7-5-4-6-13(15)20/h4-10H,1-3H3,(H,21,23)(H,22,24)
InChIKeyFARYWDORCNEUQG-UHFFFAOYSA-N
MW393.26 g/mol
LogP4.50
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide

N-(2-bromo-4-methylphenyl)-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide (PubChem CID 108968743) has the molecular formula C18H18BrFN2O2 and a molecular weight of 393.26 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide
PubChem CID108968743
Molecular FormulaC18H18BrFN2O2
Molecular Weight393.26 g/mol
Exact Mass392.05
IUPAC NameN-(2-bromo-4-methylphenyl)-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide
SMILESCc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccccc2F)c(Br)c1
InChIInChI=1S/C18H18BrFN2O2/c1-11-8-9-14(12(19)10-11)21-16(23)18(2,3)17(24)22-15-7-5-4-6-13(15)20/h4-10H,1-3H3,(H,21,23)(H,22,24)
InChIKeyFARYWDORCNEUQG-UHFFFAOYSA-N
XLogP4.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 54.50
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'-(2-fluorophenyl)-2,2-dimethylpropanediamide 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'-(3-fluorophenyl)-2,2-dimethylpropanediamide
CID 108969955
N'-(2-fluorophenyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108967144
N-(2-bromo-4-methylphenyl)-2,6-difluorobenzamide
CID 24689737
N-(2,6-difluorophenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967857
N-(2-fluoro-4-methylphenyl)-2,2-dimethylpropanamide
CID 24898894
N-(2-fluorophenyl)-2,2-dimethyl-N'-propylpropanediamide
CID 108957085
N-(2-fluorophenyl)-2,2-dimethyl-N'-[4-(trifluoromethyl)phenyl]propanediamide
CID 108968722
2-amino-N-(2-bromo-4-methylphenyl)-3-fluorobenzamide
CID 62649187
N'-(2-bromo-4-methylphenyl)-N-[(2-fluorophenyl)methyl]propanediamide
CID 108946335
1-(2-bromophenyl)-3-(2-fluoro-4-methylphenyl)thiourea
CID 53364985
N-(2-bromo-4-methylphenyl)-N'-tert-butyloxamide
CID 108506932
N-(2-bromophenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968886

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide (CID 108968743) is N-(2-bromo-4-methylphenyl)-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide is Cc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccccc2F)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide?
The InChIKey is FARYWDORCNEUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O2/c1-11-8-9-14(12(19)10-11)21-16(23)18(2,3)17(24)22-15-7-5-4-6-13(15)20/h4-10H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(2-bromo-4-methylphenyl)-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide?
N-(2-bromo-4-methylphenyl)-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide has a molecular weight of 393.26 g/mol, XLogP of 4.50, 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'-(2-fluorophenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108968743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).