propan-2-yl N-[1,3-benzodioxol-5-yl-(2,6-dichlorophenyl)methyl]carbamate

C18H17Cl2NO4 — CID 11132715

IUPACpropan-2-yl N-[1,3-benzodioxol-5-yl-(2,6-dichlorophenyl)methyl]carbamate
SMILESCC(C)OC(=O)NC(c1ccc2c(c1)OCO2)c1c(Cl)cccc1Cl
InChIInChI=1S/C18H17Cl2NO4/c1-10(2)25-18(22)21-17(16-12(19)4-3-5-13(16)20)11-6-7-14-15(8-11)24-9-23-14/h3-8,10,17H,9H2,1-2H3,(H,21,22)
InChIKeySTKOLWCCTNOXLE-UHFFFAOYSA-N
MW382.24 g/mol
LogP4.95
Rot. Bonds4

About propan-2-yl N-[1,3-benzodioxol-5-yl-(2,6-dichlorophenyl)methyl]carbamate

propan-2-yl N-[1,3-benzodioxol-5-yl-(2,6-dichlorophenyl)methyl]carbamate (PubChem CID 11132715) has the molecular formula C18H17Cl2NO4 and a molecular weight of 382.24 g/mol. Its IUPAC name is propan-2-yl N-[1,3-benzodioxol-5-yl-(2,6-dichlorophenyl)methyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[1,3-benzodioxol-5-yl-(2,6-dichlorophenyl)methyl]carbamate
PubChem CID11132715
Molecular FormulaC18H17Cl2NO4
Molecular Weight382.24 g/mol
Exact Mass381.05
IUPAC Namepropan-2-yl N-[1,3-benzodioxol-5-yl-(2,6-dichlorophenyl)methyl]carbamate
SMILESCC(C)OC(=O)NC(c1ccc2c(c1)OCO2)c1c(Cl)cccc1Cl
InChIInChI=1S/C18H17Cl2NO4/c1-10(2)25-18(22)21-17(16-12(19)4-3-5-13(16)20)11-6-7-14-15(8-11)24-9-23-14/h3-8,10,17H,9H2,1-2H3,(H,21,22)
InChIKeySTKOLWCCTNOXLE-UHFFFAOYSA-N
XLogP4.95
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[1,3-benzodioxol-5-yl-(2,6-dichlorophenyl)methyl]carbamate?
The IUPAC name of propan-2-yl N-[1,3-benzodioxol-5-yl-(2,6-dichlorophenyl)methyl]carbamate (CID 11132715) is propan-2-yl N-[1,3-benzodioxol-5-yl-(2,6-dichlorophenyl)methyl]carbamate.
What is the SMILES notation for propan-2-yl N-[1,3-benzodioxol-5-yl-(2,6-dichlorophenyl)methyl]carbamate?
The canonical SMILES for propan-2-yl N-[1,3-benzodioxol-5-yl-(2,6-dichlorophenyl)methyl]carbamate is CC(C)OC(=O)NC(c1ccc2c(c1)OCO2)c1c(Cl)cccc1Cl.
What is the InChIKey of propan-2-yl N-[1,3-benzodioxol-5-yl-(2,6-dichlorophenyl)methyl]carbamate?
The InChIKey is STKOLWCCTNOXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO4/c1-10(2)25-18(22)21-17(16-12(19)4-3-5-13(16)20)11-6-7-14-15(8-11)24-9-23-14/h3-8,10,17H,9H2,1-2H3,(H,21,22).
What are the key properties of propan-2-yl N-[1,3-benzodioxol-5-yl-(2,6-dichlorophenyl)methyl]carbamate?
propan-2-yl N-[1,3-benzodioxol-5-yl-(2,6-dichlorophenyl)methyl]carbamate has a molecular weight of 382.24 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[1,3-benzodioxol-5-yl-(2,6-dichlorophenyl)methyl]carbamate is sourced from PubChem (CID 11132715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).