N-(4-acetylphenyl)-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide

C19H18Cl2N2O3 — CID 108969771

IUPACN-(4-acetylphenyl)-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide
SMILESCC(=O)c1ccc(NC(=O)C(C)(C)C(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C19H18Cl2N2O3/c1-11(24)12-4-7-14(8-5-12)22-17(25)19(2,3)18(26)23-16-10-13(20)6-9-15(16)21/h4-10H,1-3H3,(H,22,25)(H,23,26)
InChIKeyKGWJQDIQOFCBNH-UHFFFAOYSA-N
MW393.27 g/mol
LogP4.80
Rot. Bonds5

About N-(4-acetylphenyl)-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide

N-(4-acetylphenyl)-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide (PubChem CID 108969771) has the molecular formula C19H18Cl2N2O3 and a molecular weight of 393.27 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide
PubChem CID108969771
Molecular FormulaC19H18Cl2N2O3
Molecular Weight393.27 g/mol
Exact Mass392.07
IUPAC NameN-(4-acetylphenyl)-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide
SMILESCC(=O)c1ccc(NC(=O)C(C)(C)C(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C19H18Cl2N2O3/c1-11(24)12-4-7-14(8-5-12)22-17(25)19(2,3)18(26)23-16-10-13(20)6-9-15(16)21/h4-10H,1-3H3,(H,22,25)(H,23,26)
InChIKeyKGWJQDIQOFCBNH-UHFFFAOYSA-N
XLogP4.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968994
N-(4-acetylphenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968875
N-(4-acetylphenyl)-3-(2,5-dichloroanilino)propanamide
CID 109041021
methyl 4-[[3-(5-chloro-2-methylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108969092
N-(4-acetylphenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967830
N-(3-acetylphenyl)-N'-(4-acetylphenyl)-2,2-dimethylpropanediamide
CID 108969722
N-(4-acetylphenyl)-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide
CID 108968637
N-(2,5-dichlorophenyl)-2,2-dimethylbutanamide
CID 4629651
methyl 4-[[3-(4-acetylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108969758
N-(2,5-dichlorophenyl)-2-methyl-2-(methylamino)propanamide
CID 62834105
N-butan-2-yl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108958327
N-cyclopentyl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108958708

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(4-acetylphenyl)-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide (CID 108969771) is N-(4-acetylphenyl)-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(4-acetylphenyl)-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(4-acetylphenyl)-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide is CC(=O)c1ccc(NC(=O)C(C)(C)C(=O)Nc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide?
The InChIKey is KGWJQDIQOFCBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3/c1-11(24)12-4-7-14(8-5-12)22-17(25)19(2,3)18(26)23-16-10-13(20)6-9-15(16)21/h4-10H,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-(4-acetylphenyl)-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide?
N-(4-acetylphenyl)-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide has a molecular weight of 393.27 g/mol, XLogP of 4.80, 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'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108969771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).