(2,4-dichloro-5-ethyl-3-methylphenyl) N-methylcarbamate

C11H13Cl2NO2 — CID 12644

IUPAC(2,4-dichloro-5-ethyl-3-methylphenyl) N-methylcarbamate
SMILESCCc1cc(OC(=O)NC)c(Cl)c(C)c1Cl
InChIInChI=1S/C11H13Cl2NO2/c1-4-7-5-8(16-11(15)14-3)10(13)6(2)9(7)12/h5H,4H2,1-3H3,(H,14,15)
InChIKeyAZXKDALZKPSQGB-UHFFFAOYSA-N
MW262.14 g/mol
LogP3.58
Rot. Bonds2

About (2,4-dichloro-5-ethyl-3-methylphenyl) N-methylcarbamate

(2,4-dichloro-5-ethyl-3-methylphenyl) N-methylcarbamate (PubChem CID 12644) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is (2,4-dichloro-5-ethyl-3-methylphenyl) N-methylcarbamate.

Molecular Properties

Compound Name(2,4-dichloro-5-ethyl-3-methylphenyl) N-methylcarbamate
PubChem CID12644
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name(2,4-dichloro-5-ethyl-3-methylphenyl) N-methylcarbamate
SMILESCCc1cc(OC(=O)NC)c(Cl)c(C)c1Cl
InChIInChI=1S/C11H13Cl2NO2/c1-4-7-5-8(16-11(15)14-3)10(13)6(2)9(7)12/h5H,4H2,1-3H3,(H,14,15)
InChIKeyAZXKDALZKPSQGB-UHFFFAOYSA-N
XLogP3.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichloro-5-ethyl-3-methylphenyl) N-methylcarbamate?
The IUPAC name of (2,4-dichloro-5-ethyl-3-methylphenyl) N-methylcarbamate (CID 12644) is (2,4-dichloro-5-ethyl-3-methylphenyl) N-methylcarbamate.
What is the SMILES notation for (2,4-dichloro-5-ethyl-3-methylphenyl) N-methylcarbamate?
The canonical SMILES for (2,4-dichloro-5-ethyl-3-methylphenyl) N-methylcarbamate is CCc1cc(OC(=O)NC)c(Cl)c(C)c1Cl.
What is the InChIKey of (2,4-dichloro-5-ethyl-3-methylphenyl) N-methylcarbamate?
The InChIKey is AZXKDALZKPSQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-4-7-5-8(16-11(15)14-3)10(13)6(2)9(7)12/h5H,4H2,1-3H3,(H,14,15).
What are the key properties of (2,4-dichloro-5-ethyl-3-methylphenyl) N-methylcarbamate?
(2,4-dichloro-5-ethyl-3-methylphenyl) N-methylcarbamate has a molecular weight of 262.14 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloro-5-ethyl-3-methylphenyl) N-methylcarbamate is sourced from PubChem (CID 12644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).