methyl N-(3-chloro-2-ethylphenyl)-N-methoxycarbonylcarbamate

C12H14ClNO4 — CID 141144731

IUPACmethyl N-(3-chloro-2-ethylphenyl)-N-methoxycarbonylcarbamate
SMILESCCc1c(Cl)cccc1N(C(=O)OC)C(=O)OC
InChIInChI=1S/C12H14ClNO4/c1-4-8-9(13)6-5-7-10(8)14(11(15)17-2)12(16)18-3/h5-7H,4H2,1-3H3
InChIKeyIQHHPQMRZKKCJG-UHFFFAOYSA-N
MW271.70 g/mol
LogP3.24
Rot. Bonds2

About methyl N-(3-chloro-2-ethylphenyl)-N-methoxycarbonylcarbamate

methyl N-(3-chloro-2-ethylphenyl)-N-methoxycarbonylcarbamate (PubChem CID 141144731) has the molecular formula C12H14ClNO4 and a molecular weight of 271.70 g/mol. Its IUPAC name is methyl N-(3-chloro-2-ethylphenyl)-N-methoxycarbonylcarbamate.

Molecular Properties

Compound Namemethyl N-(3-chloro-2-ethylphenyl)-N-methoxycarbonylcarbamate
PubChem CID141144731
Molecular FormulaC12H14ClNO4
Molecular Weight271.70 g/mol
Exact Mass271.06
IUPAC Namemethyl N-(3-chloro-2-ethylphenyl)-N-methoxycarbonylcarbamate
SMILESCCc1c(Cl)cccc1N(C(=O)OC)C(=O)OC
InChIInChI=1S/C12H14ClNO4/c1-4-8-9(13)6-5-7-10(8)14(11(15)17-2)12(16)18-3/h5-7H,4H2,1-3H3
InChIKeyIQHHPQMRZKKCJG-UHFFFAOYSA-N
XLogP3.24
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-(3-chloro-2-ethylphenyl)-N-methoxycarbonylcarbamate?
The IUPAC name of methyl N-(3-chloro-2-ethylphenyl)-N-methoxycarbonylcarbamate (CID 141144731) is methyl N-(3-chloro-2-ethylphenyl)-N-methoxycarbonylcarbamate.
What is the SMILES notation for methyl N-(3-chloro-2-ethylphenyl)-N-methoxycarbonylcarbamate?
The canonical SMILES for methyl N-(3-chloro-2-ethylphenyl)-N-methoxycarbonylcarbamate is CCc1c(Cl)cccc1N(C(=O)OC)C(=O)OC.
What is the InChIKey of methyl N-(3-chloro-2-ethylphenyl)-N-methoxycarbonylcarbamate?
The InChIKey is IQHHPQMRZKKCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4/c1-4-8-9(13)6-5-7-10(8)14(11(15)17-2)12(16)18-3/h5-7H,4H2,1-3H3.
What are the key properties of methyl N-(3-chloro-2-ethylphenyl)-N-methoxycarbonylcarbamate?
methyl N-(3-chloro-2-ethylphenyl)-N-methoxycarbonylcarbamate has a molecular weight of 271.70 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-chloro-2-ethylphenyl)-N-methoxycarbonylcarbamate is sourced from PubChem (CID 141144731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).