N-(4-fluorophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide

C21H25FN2O2 — CID 108968591

IUPACN-(4-fluorophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
SMILESCc1cccc(C(C)C)c1NC(=O)C(C)(C)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C21H25FN2O2/c1-13(2)17-8-6-7-14(3)18(17)24-20(26)21(4,5)19(25)23-16-11-9-15(22)10-12-16/h6-13H,1-5H3,(H,23,25)(H,24,26)
InChIKeyVQSQBOBPACYNFI-UHFFFAOYSA-N
MW356.44 g/mol
LogP4.86
Rot. Bonds5

About N-(4-fluorophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide

N-(4-fluorophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide (PubChem CID 108968591) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
PubChem CID108968591
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN-(4-fluorophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
SMILESCc1cccc(C(C)C)c1NC(=O)C(C)(C)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C21H25FN2O2/c1-13(2)17-8-6-7-14(3)18(17)24-20(26)21(4,5)19(25)23-16-11-9-15(22)10-12-16/h6-13H,1-5H3,(H,23,25)(H,24,26)
InChIKeyVQSQBOBPACYNFI-UHFFFAOYSA-N
XLogP4.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-fluorophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)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-acetamidophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108968604
N-(4-acetylphenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108968602
N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide
CID 108968066
2-methoxy-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 103029054
2-(4-fluorophenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7919869
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108960266
N-(3,4-difluorophenyl)-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968124
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
2-(4-fluorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 132760693
tert-butyl N-(2-methyl-6-propan-2-ylphenyl)carbamate
CID 65142644
N-[4-(diethylamino)phenyl]-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968103
N-(4-fluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
CID 108962173

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide?
The IUPAC name of N-(4-fluorophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide (CID 108968591) is N-(4-fluorophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide.
What is the SMILES notation for N-(4-fluorophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide?
The canonical SMILES for N-(4-fluorophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide is Cc1cccc(C(C)C)c1NC(=O)C(C)(C)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide?
The InChIKey is VQSQBOBPACYNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-13(2)17-8-6-7-14(3)18(17)24-20(26)21(4,5)19(25)23-16-11-9-15(22)10-12-16/h6-13H,1-5H3,(H,23,25)(H,24,26).
What are the key properties of N-(4-fluorophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide?
N-(4-fluorophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide has a molecular weight of 356.44 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide is sourced from PubChem (CID 108968591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).