N-(2,6-dichlorophenyl)-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide

C16H16Cl2N2O3 — CID 108961477

IUPACN-(2,6-dichlorophenyl)-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NCc1ccco1)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H16Cl2N2O3/c1-16(2,14(21)19-9-10-5-4-8-23-10)15(22)20-13-11(17)6-3-7-12(13)18/h3-8H,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyBYJYPSWGRKEHOJ-UHFFFAOYSA-N
MW355.22 g/mol
LogP3.87
Rot. Bonds5

About N-(2,6-dichlorophenyl)-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide

N-(2,6-dichlorophenyl)-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide (PubChem CID 108961477) has the molecular formula C16H16Cl2N2O3 and a molecular weight of 355.22 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
PubChem CID108961477
Molecular FormulaC16H16Cl2N2O3
Molecular Weight355.22 g/mol
Exact Mass354.05
IUPAC NameN-(2,6-dichlorophenyl)-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NCc1ccco1)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H16Cl2N2O3/c1-16(2,14(21)19-9-10-5-4-8-23-10)15(22)20-13-11(17)6-3-7-12(13)18/h3-8H,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyBYJYPSWGRKEHOJ-UHFFFAOYSA-N
XLogP3.87
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 53.87
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-(2-chloro-4,6-dimethylphenyl)-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108961418
N'-(furan-2-ylmethyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108961384
N-(2,6-dichlorophenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962082
1-N'-(2,6-dichlorophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974715
N,N-diethyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108961366
N-(furan-2-ylmethyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958739
N-cyclohexyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108958927
1-(2-chloro-6-methylphenyl)-3-(furan-2-ylmethyl)thiourea
CID 3275137
2-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 2082030
2-(ethylamino)-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 62831893
N-[4-(diethylamino)-2-methylphenyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108961481
N-[(2-chlorophenyl)methyl]-N'-(2,6-difluorophenyl)-2,2-dimethylpropanediamide
CID 108962767

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(2,6-dichlorophenyl)-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide (CID 108961477) is N-(2,6-dichlorophenyl)-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide is CC(C)(C(=O)NCc1ccco1)C(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide?
The InChIKey is BYJYPSWGRKEHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3/c1-16(2,14(21)19-9-10-5-4-8-23-10)15(22)20-13-11(17)6-3-7-12(13)18/h3-8H,9H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(2,6-dichlorophenyl)-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide?
N-(2,6-dichlorophenyl)-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide has a molecular weight of 355.22 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108961477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).