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

C17H13F5N2O2 — CID 108970179

IUPACN-(3,4-difluorophenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide
SMILESCC(C)(C(=O)Nc1ccc(F)c(F)c1)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H13F5N2O2/c1-17(2,15(25)23-8-3-4-9(18)11(20)7-8)16(26)24-12-6-5-10(19)13(21)14(12)22/h3-7H,1-2H3,(H,23,25)(H,24,26)
InChIKeyKXDKYIIIEVLNPG-UHFFFAOYSA-N
MW372.29 g/mol
LogP3.99
Rot. Bonds4

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

N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide (PubChem CID 108970179) has the molecular formula C17H13F5N2O2 and a molecular weight of 372.29 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide
PubChem CID108970179
Molecular FormulaC17H13F5N2O2
Molecular Weight372.29 g/mol
Exact Mass372.09
IUPAC NameN-(3,4-difluorophenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide
SMILESCC(C)(C(=O)Nc1ccc(F)c(F)c1)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H13F5N2O2/c1-17(2,15(25)23-8-3-4-9(18)11(20)7-8)16(26)24-12-6-5-10(19)13(21)14(12)22/h3-7H,1-2H3,(H,23,25)(H,24,26)
InChIKeyKXDKYIIIEVLNPG-UHFFFAOYSA-N
XLogP3.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)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-(4-tert-butylphenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108968690
N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
CID 108967527
N-(2-tert-butylphenyl)-N'-(3,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108968655
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
[2-(3,4-difluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197775
N-(2,4-difluorophenyl)-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
CID 108968827
N-(4-chlorophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108969011
N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
CID 108962236
N'-(3-chloro-4-fluorophenyl)-N-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968856
N-(3,4-difluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964253

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide?
The IUPAC name of N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide (CID 108970179) is N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide is CC(C)(C(=O)Nc1ccc(F)c(F)c1)C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide?
The InChIKey is KXDKYIIIEVLNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F5N2O2/c1-17(2,15(25)23-8-3-4-9(18)11(20)7-8)16(26)24-12-6-5-10(19)13(21)14(12)22/h3-7H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide?
N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide has a molecular weight of 372.29 g/mol, XLogP of 3.99, 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'-(2,3,4-trifluorophenyl)propanediamide is sourced from PubChem (CID 108970179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).