N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide

C18H18F2N2O2 — CID 108967527

IUPACN-(3,4-difluorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
SMILESCc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H18F2N2O2/c1-11-4-6-12(7-5-11)21-16(23)18(2,3)17(24)22-13-8-9-14(19)15(20)10-13/h4-10H,1-3H3,(H,21,23)(H,22,24)
InChIKeyITORHOVPGCUUGN-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.88
Rot. Bonds4

About N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide

N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide (PubChem CID 108967527) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
PubChem CID108967527
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC NameN-(3,4-difluorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
SMILESCc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H18F2N2O2/c1-11-4-6-12(7-5-11)21-16(23)18(2,3)17(24)22-13-8-9-14(19)15(20)10-13/h4-10H,1-3H3,(H,21,23)(H,22,24)
InChIKeyITORHOVPGCUUGN-UHFFFAOYSA-N
XLogP3.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(4-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,N'-bis(3,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108970184
N-(3,4-difluorophenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967993
N-(3,4-difluorophenyl)-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968124
N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108970179
N-(3-chlorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
CID 108967452
2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8729092
N-(2-tert-butylphenyl)-N'-(3,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108968655
N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
CID 108962236
N-(3,4-difluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964253
2,2-dimethyl-N-(4-methylphenyl)-N'-propan-2-ylpropanediamide
CID 108957263
N,N'-bis(3,4-difluorophenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide
CID 3369312
N,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967928

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide?
The IUPAC name of N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide (CID 108967527) is N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide is Cc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide?
The InChIKey is ITORHOVPGCUUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c1-11-4-6-12(7-5-11)21-16(23)18(2,3)17(24)22-13-8-9-14(19)15(20)10-13/h4-10H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide?
N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide has a molecular weight of 332.35 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide is sourced from PubChem (CID 108967527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).