N-(4-chlorophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide

C17H15ClF2N2O2 — CID 108969011

IUPACN-(4-chlorophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H15ClF2N2O2/c1-17(2,15(23)21-12-6-3-10(18)4-7-12)16(24)22-14-8-5-11(19)9-13(14)20/h3-9H,1-2H3,(H,21,23)(H,22,24)
InChIKeyCKSVQMAXKPLLHG-UHFFFAOYSA-N
MW352.77 g/mol
LogP4.22
Rot. Bonds4

About N-(4-chlorophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide

N-(4-chlorophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide (PubChem CID 108969011) has the molecular formula C17H15ClF2N2O2 and a molecular weight of 352.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide
PubChem CID108969011
Molecular FormulaC17H15ClF2N2O2
Molecular Weight352.77 g/mol
Exact Mass352.08
IUPAC NameN-(4-chlorophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H15ClF2N2O2/c1-17(2,15(23)21-12-6-3-10(18)4-7-12)16(24)22-14-8-5-11(19)9-13(14)20/h3-9H,1-2H3,(H,21,23)(H,22,24)
InChIKeyCKSVQMAXKPLLHG-UHFFFAOYSA-N
XLogP4.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-chlorophenyl)-N'-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
CID 108968827
N-(4-cyanophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108970065
N-(4-chlorophenyl)-2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 4818872
N-[4-(2,4-difluoroanilino)phenyl]-2,2-dimethylpropanamide
CID 112989406
N-(3,4-dichlorophenyl)-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
CID 108968831
2-(2-chloro-4-fluorophenyl)-N-(4-chlorophenyl)-2-hydroxypropanamide
CID 18752987
N,N'-bis(3,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108970184
3-(4-chloroanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 10681593
N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108970179
N-(4-tert-butylphenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108968690
N-(4-acetylphenyl)-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968994
3-(4-acetylpiperazin-1-yl)-N-(2,4-difluorophenyl)-2,2-dimethyl-3-oxopropanamide
CID 108961299

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(4-chlorophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide (CID 108969011) is N-(4-chlorophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(4-chlorophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(4-chlorophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide is CC(C)(C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(4-chlorophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide?
The InChIKey is CKSVQMAXKPLLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N2O2/c1-17(2,15(23)21-12-6-3-10(18)4-7-12)16(24)22-14-8-5-11(19)9-13(14)20/h3-9H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-chlorophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide?
N-(4-chlorophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide has a molecular weight of 352.77 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108969011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).