tert-butyl N-(2-chloro-6-chlorooxy-5-ethyl-3-methoxyphenyl)carbamate

C14H19Cl2NO4 — CID 145402892

IUPACtert-butyl N-(2-chloro-6-chlorooxy-5-ethyl-3-methoxyphenyl)carbamate
SMILESCCc1cc(OC)c(Cl)c(NC(=O)OC(C)(C)C)c1OCl
InChIInChI=1S/C14H19Cl2NO4/c1-6-8-7-9(19-5)10(15)11(12(8)21-16)17-13(18)20-14(2,3)4/h7H,6H2,1-5H3,(H,17,18)
InChIKeyPCSLVGYAVKAUFS-UHFFFAOYSA-N
MW336.22 g/mol
LogP4.79
Rot. Bonds4

About tert-butyl N-(2-chloro-6-chlorooxy-5-ethyl-3-methoxyphenyl)carbamate

tert-butyl N-(2-chloro-6-chlorooxy-5-ethyl-3-methoxyphenyl)carbamate (PubChem CID 145402892) has the molecular formula C14H19Cl2NO4 and a molecular weight of 336.22 g/mol. Its IUPAC name is tert-butyl N-(2-chloro-6-chlorooxy-5-ethyl-3-methoxyphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-chloro-6-chlorooxy-5-ethyl-3-methoxyphenyl)carbamate
PubChem CID145402892
Molecular FormulaC14H19Cl2NO4
Molecular Weight336.22 g/mol
Exact Mass335.07
IUPAC Nametert-butyl N-(2-chloro-6-chlorooxy-5-ethyl-3-methoxyphenyl)carbamate
SMILESCCc1cc(OC)c(Cl)c(NC(=O)OC(C)(C)C)c1OCl
InChIInChI=1S/C14H19Cl2NO4/c1-6-8-7-9(19-5)10(15)11(12(8)21-16)17-13(18)20-14(2,3)4/h7H,6H2,1-5H3,(H,17,18)
InChIKeyPCSLVGYAVKAUFS-UHFFFAOYSA-N
XLogP4.79
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-chloro-6-ethyl-4-methylphenyl)carbamate
CID 58892825
tert-butyl N-[2-methoxy-6-(2-oxopropyl)phenyl]carbamate
CID 175297517
tert-butyl N-(4-formyl-2,6-dimethoxyphenyl)carbamate
CID 84812097
tert-butyl N-(2-ethyl-4-hydroxyphenyl)carbamate
CID 143575571
tert-butyl N-(5-hydroxy-2-methoxyphenyl)carbamate
CID 152536591
tert-butyl N-[4-(hydroxymethyl)-3-methoxyphenyl]carbamate
CID 117236522
tert-butyl N-[2-methoxy-4-(2-oxopentyl)phenyl]carbamate
CID 70242201
tert-butyl N-[3-methoxy-4-(2-oxobutyl)phenyl]carbamate
CID 174313293
tert-butyl N-(2-ethyl-6-fluorophenyl)carbamate
CID 153485690
tert-butyl N-[(2-chloro-3,4-dimethoxyphenyl)methylamino]carbamate
CID 107236645
tert-butyl N-(5-bromo-2-methoxyphenyl)carbamate;propane
CID 144536105
tert-butyl N-[4-(chloromethyl)-2-methoxyphenyl]carbamate
CID 117236540

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-chloro-6-chlorooxy-5-ethyl-3-methoxyphenyl)carbamate?
The IUPAC name of tert-butyl N-(2-chloro-6-chlorooxy-5-ethyl-3-methoxyphenyl)carbamate (CID 145402892) is tert-butyl N-(2-chloro-6-chlorooxy-5-ethyl-3-methoxyphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-chloro-6-chlorooxy-5-ethyl-3-methoxyphenyl)carbamate?
The canonical SMILES for tert-butyl N-(2-chloro-6-chlorooxy-5-ethyl-3-methoxyphenyl)carbamate is CCc1cc(OC)c(Cl)c(NC(=O)OC(C)(C)C)c1OCl.
What is the InChIKey of tert-butyl N-(2-chloro-6-chlorooxy-5-ethyl-3-methoxyphenyl)carbamate?
The InChIKey is PCSLVGYAVKAUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO4/c1-6-8-7-9(19-5)10(15)11(12(8)21-16)17-13(18)20-14(2,3)4/h7H,6H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-(2-chloro-6-chlorooxy-5-ethyl-3-methoxyphenyl)carbamate?
tert-butyl N-(2-chloro-6-chlorooxy-5-ethyl-3-methoxyphenyl)carbamate has a molecular weight of 336.22 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-chloro-6-chlorooxy-5-ethyl-3-methoxyphenyl)carbamate is sourced from PubChem (CID 145402892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).