N-(3-fluorophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide

C18H19FN2O3 — CID 108969376

IUPACN-(3-fluorophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide
SMILESCOc1cccc(NC(=O)C(C)(C)C(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C18H19FN2O3/c1-18(2,16(22)20-13-7-4-6-12(19)10-13)17(23)21-14-8-5-9-15(11-14)24-3/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyGLHKYOFIUUBKKJ-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.44
Rot. Bonds5

About N-(3-fluorophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide

N-(3-fluorophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide (PubChem CID 108969376) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide
PubChem CID108969376
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN-(3-fluorophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide
SMILESCOc1cccc(NC(=O)C(C)(C)C(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C18H19FN2O3/c1-18(2,16(22)20-13-7-4-6-12(19)10-13)17(23)21-14-8-5-9-15(11-14)24-3/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyGLHKYOFIUUBKKJ-UHFFFAOYSA-N
XLogP3.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-fluorophenyl)-N'-(3-methoxyphenyl)-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-(3-fluorophenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964406
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-2-methylpropanamide
CID 113197444
N-(3-cyanophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969395
2,2-difluoro-2-(4-fluorophenyl)-N-(3-methoxyphenyl)acetamide
CID 48571112
2-hydroxy-N-(3-methoxyphenyl)-2,2-diphenylacetamide
CID 828005
3-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108961269
2-(3-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 2709796
2-amino-2-ethyl-N-(3-methoxyphenyl)butanamide
CID 79809500
8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(3-methoxyphenyl)octanamide
CID 4621112
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(3-methoxyphenyl)nonanamide
CID 3510887
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8909173

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(3-fluorophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide (CID 108969376) is N-(3-fluorophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(3-fluorophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(3-fluorophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide is COc1cccc(NC(=O)C(C)(C)C(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of N-(3-fluorophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide?
The InChIKey is GLHKYOFIUUBKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-18(2,16(22)20-13-7-4-6-12(19)10-13)17(23)21-14-8-5-9-15(11-14)24-3/h4-11H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-fluorophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide?
N-(3-fluorophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide has a molecular weight of 330.36 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108969376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).