2-(2-chloro-4,6-dimethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C18H19ClN2O3 — CID 42125199

IUPAC2-(2-chloro-4,6-dimethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCc1cc(C)c(NCC(=O)Nc2ccc3c(c2)OCCO3)c(Cl)c1
InChIInChI=1S/C18H19ClN2O3/c1-11-7-12(2)18(14(19)8-11)20-10-17(22)21-13-3-4-15-16(9-13)24-6-5-23-15/h3-4,7-9,20H,5-6,10H2,1-2H3,(H,21,22)
InChIKeyIJSCYVVNMCNLGI-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.78
Rot. Bonds4

About 2-(2-chloro-4,6-dimethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

2-(2-chloro-4,6-dimethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 42125199) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 2-(2-chloro-4,6-dimethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4,6-dimethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID42125199
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name2-(2-chloro-4,6-dimethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCc1cc(C)c(NCC(=O)Nc2ccc3c(c2)OCCO3)c(Cl)c1
InChIInChI=1S/C18H19ClN2O3/c1-11-7-12(2)18(14(19)8-11)20-10-17(22)21-13-3-4-15-16(9-13)24-6-5-23-15/h3-4,7-9,20H,5-6,10H2,1-2H3,(H,21,22)
InChIKeyIJSCYVVNMCNLGI-UHFFFAOYSA-N
XLogP3.78
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-chloro-4,6-dimethylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide
CID 108987161
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9339538
2-(2-chloro-4,6-dimethylanilino)-N-(3-fluorophenyl)acetamide
CID 42125202
2-(3-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 26417495
N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)acetamide
CID 109008848
N-(3-bromophenyl)-2-(2-chloro-4,6-dimethylanilino)acetamide
CID 109008766
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylanilino)acetamide
CID 37467922
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9338752
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 110370561
2-N-(1,3-benzodioxol-5-yl)-1-N-(2-chloro-4,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143240
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetamide
CID 79237253
1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982114

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4,6-dimethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2-(2-chloro-4,6-dimethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 42125199) is 2-(2-chloro-4,6-dimethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-4,6-dimethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2-(2-chloro-4,6-dimethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is Cc1cc(C)c(NCC(=O)Nc2ccc3c(c2)OCCO3)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4,6-dimethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is IJSCYVVNMCNLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-11-7-12(2)18(14(19)8-11)20-10-17(22)21-13-3-4-15-16(9-13)24-6-5-23-15/h3-4,7-9,20H,5-6,10H2,1-2H3,(H,21,22).
What are the key properties of 2-(2-chloro-4,6-dimethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2-(2-chloro-4,6-dimethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 346.81 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4,6-dimethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 42125199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).