1,3-benzodioxol-5-ylmethyl N-(2,4-dichlorophenyl)carbamate

C15H11Cl2NO4 — CID 5225250

IUPAC1,3-benzodioxol-5-ylmethyl N-(2,4-dichlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1Cl)OCc1ccc2c(c1)OCO2
InChIInChI=1S/C15H11Cl2NO4/c16-10-2-3-12(11(17)6-10)18-15(19)20-7-9-1-4-13-14(5-9)22-8-21-13/h1-6H,7-8H2,(H,18,19)
InChIKeyAQQSLTBESBZRDU-UHFFFAOYSA-N
MW340.16 g/mol
LogP4.47
Rot. Bonds3

About 1,3-benzodioxol-5-ylmethyl N-(2,4-dichlorophenyl)carbamate

1,3-benzodioxol-5-ylmethyl N-(2,4-dichlorophenyl)carbamate (PubChem CID 5225250) has the molecular formula C15H11Cl2NO4 and a molecular weight of 340.16 g/mol. Its IUPAC name is 1,3-benzodioxol-5-ylmethyl N-(2,4-dichlorophenyl)carbamate.

Molecular Properties

Compound Name1,3-benzodioxol-5-ylmethyl N-(2,4-dichlorophenyl)carbamate
PubChem CID5225250
Molecular FormulaC15H11Cl2NO4
Molecular Weight340.16 g/mol
Exact Mass339.01
IUPAC Name1,3-benzodioxol-5-ylmethyl N-(2,4-dichlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1Cl)OCc1ccc2c(c1)OCO2
InChIInChI=1S/C15H11Cl2NO4/c16-10-2-3-12(11(17)6-10)18-15(19)20-7-9-1-4-13-14(5-9)22-8-21-13/h1-6H,7-8H2,(H,18,19)
InChIKeyAQQSLTBESBZRDU-UHFFFAOYSA-N
XLogP4.47
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-ylmethyl N-(2,4-dichlorophenyl)carbamate?
The IUPAC name of 1,3-benzodioxol-5-ylmethyl N-(2,4-dichlorophenyl)carbamate (CID 5225250) is 1,3-benzodioxol-5-ylmethyl N-(2,4-dichlorophenyl)carbamate.
What is the SMILES notation for 1,3-benzodioxol-5-ylmethyl N-(2,4-dichlorophenyl)carbamate?
The canonical SMILES for 1,3-benzodioxol-5-ylmethyl N-(2,4-dichlorophenyl)carbamate is O=C(Nc1ccc(Cl)cc1Cl)OCc1ccc2c(c1)OCO2.
What is the InChIKey of 1,3-benzodioxol-5-ylmethyl N-(2,4-dichlorophenyl)carbamate?
The InChIKey is AQQSLTBESBZRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO4/c16-10-2-3-12(11(17)6-10)18-15(19)20-7-9-1-4-13-14(5-9)22-8-21-13/h1-6H,7-8H2,(H,18,19).
What are the key properties of 1,3-benzodioxol-5-ylmethyl N-(2,4-dichlorophenyl)carbamate?
1,3-benzodioxol-5-ylmethyl N-(2,4-dichlorophenyl)carbamate has a molecular weight of 340.16 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-ylmethyl N-(2,4-dichlorophenyl)carbamate is sourced from PubChem (CID 5225250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).