N-(1,3-benzodioxol-5-yl)-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide

C18H16Cl2N2O4 — CID 108970011

IUPACN-(1,3-benzodioxol-5-yl)-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1ccc2c(c1)OCO2)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C18H16Cl2N2O4/c1-18(2,17(24)22-12-5-3-4-11(19)15(12)20)16(23)21-10-6-7-13-14(8-10)26-9-25-13/h3-8H,9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyFEMLJRIFNRJFQU-UHFFFAOYSA-N
MW395.24 g/mol
LogP4.33
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide

N-(1,3-benzodioxol-5-yl)-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide (PubChem CID 108970011) has the molecular formula C18H16Cl2N2O4 and a molecular weight of 395.24 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide
PubChem CID108970011
Molecular FormulaC18H16Cl2N2O4
Molecular Weight395.24 g/mol
Exact Mass394.05
IUPAC NameN-(1,3-benzodioxol-5-yl)-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1ccc2c(c1)OCO2)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C18H16Cl2N2O4/c1-18(2,17(24)22-12-5-3-4-11(19)15(12)20)16(23)21-10-6-7-13-14(8-10)26-9-25-13/h3-8H,9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyFEMLJRIFNRJFQU-UHFFFAOYSA-N
XLogP4.33
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967401
N-(3-acetylphenyl)-N'-(1,3-benzodioxol-5-yl)-2,2-dimethylpropanediamide
CID 108969732
N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(4-propan-2-ylphenyl)propanediamide
CID 108968510
N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108969589
N-(1,3-benzodioxol-5-yl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967844
N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108958506
N-(1,3-benzodioxol-5-ylmethyl)-N'-(3-chloro-2-methylphenyl)-2,2-dimethylpropanediamide
CID 108963181
(Z)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
CID 108825271
N-(1,3-benzodioxol-5-yl)-N',2,2-trimethyl-N'-phenylpropanediamide
CID 108967602
2-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-2-methylphenyl)acetamide
CID 109008524
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-N'-quinolin-8-ylpropanediamide
CID 108970022
N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N',N'-dipropylpropanediamide
CID 108966915

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide (CID 108970011) is N-(1,3-benzodioxol-5-yl)-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide is CC(C)(C(=O)Nc1ccc2c(c1)OCO2)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide?
The InChIKey is FEMLJRIFNRJFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O4/c1-18(2,17(24)22-12-5-3-4-11(19)15(12)20)16(23)21-10-6-7-13-14(8-10)26-9-25-13/h3-8H,9H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide?
N-(1,3-benzodioxol-5-yl)-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide has a molecular weight of 395.24 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108970011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).