N-tert-butyl-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide

C15H20Cl2N2O2 — CID 108966056

IUPACN-tert-butyl-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C)NC(=O)C(C)(C)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H20Cl2N2O2/c1-14(2,3)19-13(21)15(4,5)12(20)18-10-8-6-7-9(16)11(10)17/h6-8H,1-5H3,(H,18,20)(H,19,21)
InChIKeyFIFVLMZRKGOCKF-UHFFFAOYSA-N
MW331.24 g/mol
LogP3.87
Rot. Bonds3

About N-tert-butyl-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide

N-tert-butyl-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide (PubChem CID 108966056) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is N-tert-butyl-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-tert-butyl-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide
PubChem CID108966056
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC NameN-tert-butyl-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C)NC(=O)C(C)(C)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H20Cl2N2O2/c1-14(2,3)19-13(21)15(4,5)12(20)18-10-8-6-7-9(16)11(10)17/h6-8H,1-5H3,(H,18,20)(H,19,21)
InChIKeyFIFVLMZRKGOCKF-UHFFFAOYSA-N
XLogP3.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108965988
N-(2,3-dichlorophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967416
N-(2,3-dichlorophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide
CID 108965784
3-amino-N-(2,3-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919749
N-(2,3-dichlorophenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958900
N-(1,3-benzodioxol-5-yl)-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108970011
N-(2,3-dichlorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
CID 108960486
N-(2-bromophenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968886
N-tert-butyl-N'-(2,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108965970
N-tert-butyl-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzamide
CID 31699711
N-(2-chlorophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108968895
N-(3-chloro-2-methylphenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967942

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-tert-butyl-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide (CID 108966056) is N-tert-butyl-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-tert-butyl-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-tert-butyl-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide is CC(C)(C)NC(=O)C(C)(C)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-tert-butyl-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide?
The InChIKey is FIFVLMZRKGOCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-14(2,3)19-13(21)15(4,5)12(20)18-10-8-6-7-9(16)11(10)17/h6-8H,1-5H3,(H,18,20)(H,19,21).
What are the key properties of N-tert-butyl-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide?
N-tert-butyl-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide has a molecular weight of 331.24 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108966056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).