N-butan-2-yl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide

C15H20Cl2N2O2 — CID 108958327

IUPACN-butan-2-yl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide
SMILESCCC(C)NC(=O)C(C)(C)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H20Cl2N2O2/c1-5-9(2)18-13(20)15(3,4)14(21)19-12-8-10(16)6-7-11(12)17/h6-9H,5H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyOHOKUMSNMUQGRJ-UHFFFAOYSA-N
MW331.24 g/mol
LogP3.87
Rot. Bonds5

About N-butan-2-yl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide

N-butan-2-yl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide (PubChem CID 108958327) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is N-butan-2-yl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-butan-2-yl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide
PubChem CID108958327
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC NameN-butan-2-yl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide
SMILESCCC(C)NC(=O)C(C)(C)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H20Cl2N2O2/c1-5-9(2)18-13(20)15(3,4)14(21)19-12-8-10(16)6-7-11(12)17/h6-9H,5H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyOHOKUMSNMUQGRJ-UHFFFAOYSA-N
XLogP3.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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-butan-2-yl-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide
CID 108958264
N-(2,5-dichlorophenyl)-2,2-dimethylbutanamide
CID 4629651
N-(2,5-dichlorophenyl)-2,2-dimethyl-N'-pentylpropanediamide
CID 108966461
1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 79023669
N-(2,5-dichlorophenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960336
N-(4-acetylphenyl)-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108969771
N-(2,5-dichlorophenyl)-2-methyl-2-(methylamino)propanamide
CID 62834105
N-cyclopentyl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108958708
1-(1-aminobutan-2-yl)-3-(2,5-dichlorophenyl)urea
CID 65193306
ethyl (3R)-3-[(2,5-dichlorophenyl)carbamoylamino]butanoate
CID 96542158
N-(2,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962504
N'-butan-2-yl-N-(2,4-dichlorophenyl)oxamide
CID 108502714

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-butan-2-yl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide (CID 108958327) is N-butan-2-yl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-butan-2-yl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-butan-2-yl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide is CCC(C)NC(=O)C(C)(C)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-butan-2-yl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide?
The InChIKey is OHOKUMSNMUQGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-5-9(2)18-13(20)15(3,4)14(21)19-12-8-10(16)6-7-11(12)17/h6-9H,5H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of N-butan-2-yl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide?
N-butan-2-yl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide has a molecular weight of 331.24 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108958327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).