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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Related Compounds

1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(2,4-dichlorophenyl)urea
CID 113217420
2-(1,3-benzodioxol-5-yl)-N-(2,5-dichlorophenyl)acetamide
CID 41107875
[2-(2,4-dichloroanilino)-2-oxoethyl] 3-(1,3-benzodioxol-5-yl)prop-2-enoate
CID 4857121
(4-chlorophenyl)methyl 1,3-benzodioxole-5-carboxylate
CID 2556848
N-(1,3-benzodioxol-5-ylmethyl)-2,4-dichlorobenzamide
CID 673796
2-bromoethyl N-(2,4-dichlorophenyl)carbamate
CID 4092025
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-chloro-2-fluorophenyl)oxamide
CID 44999501
1-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)urea
CID 42723877
2-hydroxyethyl N-(6-chloro-1,3-benzodioxol-5-yl)carbamate
CID 79346610
3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113132956
N'-(1,3-benzodioxol-5-ylmethylideneamino)-N-(2,4-dichlorophenyl)butanediamide
CID 5230716
(Z)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide
CID 108829026

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).