(2,6-dimethoxyphenyl) N-(2-chloroethyl)carbamate

C11H14ClNO4 — CID 18922280

IUPAC(2,6-dimethoxyphenyl) N-(2-chloroethyl)carbamate
SMILESCOc1cccc(OC)c1OC(=O)NCCCl
InChIInChI=1S/C11H14ClNO4/c1-15-8-4-3-5-9(16-2)10(8)17-11(14)13-7-6-12/h3-5H,6-7H2,1-2H3,(H,13,14)
InChIKeyILRQXGFACSOZIW-UHFFFAOYSA-N
MW259.69 g/mol
LogP2.03
Rot. Bonds5

About (2,6-dimethoxyphenyl) N-(2-chloroethyl)carbamate

(2,6-dimethoxyphenyl) N-(2-chloroethyl)carbamate (PubChem CID 18922280) has the molecular formula C11H14ClNO4 and a molecular weight of 259.69 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl) N-(2-chloroethyl)carbamate.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl) N-(2-chloroethyl)carbamate
PubChem CID18922280
Molecular FormulaC11H14ClNO4
Molecular Weight259.69 g/mol
Exact Mass259.06
IUPAC Name(2,6-dimethoxyphenyl) N-(2-chloroethyl)carbamate
SMILESCOc1cccc(OC)c1OC(=O)NCCCl
InChIInChI=1S/C11H14ClNO4/c1-15-8-4-3-5-9(16-2)10(8)17-11(14)13-7-6-12/h3-5H,6-7H2,1-2H3,(H,13,14)
InChIKeyILRQXGFACSOZIW-UHFFFAOYSA-N
XLogP2.03
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2,6-dimethoxyphenyl) N-chlorosulfonylcarbamate
CID 86254069
(2,3-dimethoxyphenyl) N-(2-cyanoethyl)carbamate
CID 116819885
bis(2,6-dimethoxyphenyl) butanedioate
CID 91737376
(2-cyanophenyl) N-(2-chloroethyl)carbamate
CID 13143938
(2,3-dimethoxyphenyl) 2-(methoxycarbonylamino)acetate
CID 67865616
(2-acetyloxy-3-methoxyphenyl) acetate
CID 11564821
(2,3-dimethoxyphenyl) methyl carbonate
CID 19833381
2-chloro-N-(2,6-dimethoxyphenyl)acetamide
CID 20570575
(2,6-dimethoxyphenyl) N-(2,5-dimethoxyphenyl)carbamate
CID 3325255
1-(2-chloroethyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893263
2-O-(2,6-dimethoxyphenyl) 1-O-methyl benzene-1,2-dicarboxylate
CID 6424506
(2,6-dimethylphenyl) N-[2-(methylamino)ethyl]carbamate
CID 83822836

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl) N-(2-chloroethyl)carbamate?
The IUPAC name of (2,6-dimethoxyphenyl) N-(2-chloroethyl)carbamate (CID 18922280) is (2,6-dimethoxyphenyl) N-(2-chloroethyl)carbamate.
What is the SMILES notation for (2,6-dimethoxyphenyl) N-(2-chloroethyl)carbamate?
The canonical SMILES for (2,6-dimethoxyphenyl) N-(2-chloroethyl)carbamate is COc1cccc(OC)c1OC(=O)NCCCl.
What is the InChIKey of (2,6-dimethoxyphenyl) N-(2-chloroethyl)carbamate?
The InChIKey is ILRQXGFACSOZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4/c1-15-8-4-3-5-9(16-2)10(8)17-11(14)13-7-6-12/h3-5H,6-7H2,1-2H3,(H,13,14).
What are the key properties of (2,6-dimethoxyphenyl) N-(2-chloroethyl)carbamate?
(2,6-dimethoxyphenyl) N-(2-chloroethyl)carbamate has a molecular weight of 259.69 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl) N-(2-chloroethyl)carbamate is sourced from PubChem (CID 18922280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).