N-cyclopentyl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide

C16H20Cl2N2O2 — CID 108958708

IUPACN-cyclopentyl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1cc(Cl)ccc1Cl)C(=O)NC1CCCC1
InChIInChI=1S/C16H20Cl2N2O2/c1-16(2,14(21)19-11-5-3-4-6-11)15(22)20-13-9-10(17)7-8-12(13)18/h7-9,11H,3-6H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyKYPGZANIIVYWDD-UHFFFAOYSA-N
MW343.25 g/mol
LogP4.02
Rot. Bonds4

About N-cyclopentyl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide

N-cyclopentyl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide (PubChem CID 108958708) has the molecular formula C16H20Cl2N2O2 and a molecular weight of 343.25 g/mol. Its IUPAC name is N-cyclopentyl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide
PubChem CID108958708
Molecular FormulaC16H20Cl2N2O2
Molecular Weight343.25 g/mol
Exact Mass342.09
IUPAC NameN-cyclopentyl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1cc(Cl)ccc1Cl)C(=O)NC1CCCC1
InChIInChI=1S/C16H20Cl2N2O2/c1-16(2,14(21)19-11-5-3-4-6-11)15(22)20-13-9-10(17)7-8-12(13)18/h7-9,11H,3-6H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyKYPGZANIIVYWDD-UHFFFAOYSA-N
XLogP4.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 54.02
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

1-cyclopentyl-3-(2,5-dichlorophenyl)urea
CID 47192576
N-cyclohexyl-N'-(3,4-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108959081
N-(3-chlorophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
CID 108959020
N-(3-chloro-4-methylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide
CID 108966110
N-(4-chloro-2-methylphenyl)-N'-(1,1-dioxothiolan-3-yl)-2,2-dimethylpropanediamide
CID 108964666
N-(4-acetylphenyl)-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108969771
N-(4-bromo-2-methylphenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
CID 108959069
6-N-cyclopentyl-2-N-(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 109095085
N-(2,5-dichlorophenyl)-2,2-dimethylbutanamide
CID 4629651
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,N'-di(cycloheptyl)-2,2-dimethylpropanediamide
CID 108966069

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-cyclopentyl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide (CID 108958708) is N-cyclopentyl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-cyclopentyl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-cyclopentyl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide is CC(C)(C(=O)Nc1cc(Cl)ccc1Cl)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide?
The InChIKey is KYPGZANIIVYWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O2/c1-16(2,14(21)19-11-5-3-4-6-11)15(22)20-13-9-10(17)7-8-12(13)18/h7-9,11H,3-6H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-cyclopentyl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide?
N-cyclopentyl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide has a molecular weight of 343.25 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108958708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).