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

C19H19ClN2O3 — CID 108968994

IUPACN-(4-acetylphenyl)-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide
SMILESCC(=O)c1ccc(NC(=O)C(C)(C)C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClN2O3/c1-12(23)13-4-8-15(9-5-13)21-17(24)19(2,3)18(25)22-16-10-6-14(20)7-11-16/h4-11H,1-3H3,(H,21,24)(H,22,25)
InChIKeyNCHTZUUELRUTSA-UHFFFAOYSA-N
MW358.83 g/mol
LogP4.15
Rot. Bonds5

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

N-(4-acetylphenyl)-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide (PubChem CID 108968994) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide
PubChem CID108968994
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC NameN-(4-acetylphenyl)-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide
SMILESCC(=O)c1ccc(NC(=O)C(C)(C)C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClN2O3/c1-12(23)13-4-8-15(9-5-13)21-17(24)19(2,3)18(25)22-16-10-6-14(20)7-11-16/h4-11H,1-3H3,(H,21,24)(H,22,25)
InChIKeyNCHTZUUELRUTSA-UHFFFAOYSA-N
XLogP4.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-acetylphenyl)-N'-(4-chlorophenyl)-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-(4-acetylphenyl)-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108969771
N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide
CID 108514724
N-(4-acetylphenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968875
methyl 4-[[3-(4-acetylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108969758
3-(4-chloroanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 10681593
N-(3-acetylphenyl)-N'-(4-acetylphenyl)-2,2-dimethylpropanediamide
CID 108969722
N-(4-acetylphenyl)-2,2-dimethyl-N'-propan-2-ylpropanediamide
CID 108957314
N-(4-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969023
ethyl 4-[[3-(4-acetylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108969766
N-(4-acetylphenyl)-2,2,4,4-tetramethylpentanamide
CID 143619432
N-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9167165
2,2,2-tribromo-N-(4-chlorophenyl)acetamide
CID 10916515

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(4-acetylphenyl)-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide (CID 108968994) is N-(4-acetylphenyl)-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(4-acetylphenyl)-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(4-acetylphenyl)-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide is CC(=O)c1ccc(NC(=O)C(C)(C)C(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide?
The InChIKey is NCHTZUUELRUTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-12(23)13-4-8-15(9-5-13)21-17(24)19(2,3)18(25)22-16-10-6-14(20)7-11-16/h4-11H,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N-(4-acetylphenyl)-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide?
N-(4-acetylphenyl)-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide has a molecular weight of 358.83 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108968994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).