N-(4-acetamido-2-chloro-6-methylphenyl)-N-methylcarbamate

C11H12ClN2O3- — CID 23161300

IUPACN-(4-acetamido-2-chloro-6-methylphenyl)-N-methylcarbamate
SMILESCC(=O)Nc1cc(C)c(N(C)C(=O)[O-])c(Cl)c1
InChIInChI=1S/C11H13ClN2O3/c1-6-4-8(13-7(2)15)5-9(12)10(6)14(3)11(16)17/h4-5H,1-3H3,(H,13,15)(H,16,17)/p-1
InChIKeyCFUHWQOOQPAHOT-UHFFFAOYSA-M
MW255.68 g/mol
LogP1.39
Rot. Bonds2

About N-(4-acetamido-2-chloro-6-methylphenyl)-N-methylcarbamate

N-(4-acetamido-2-chloro-6-methylphenyl)-N-methylcarbamate (PubChem CID 23161300) has the molecular formula C11H12ClN2O3- and a molecular weight of 255.68 g/mol. Its IUPAC name is N-(4-acetamido-2-chloro-6-methylphenyl)-N-methylcarbamate.

Molecular Properties

Compound NameN-(4-acetamido-2-chloro-6-methylphenyl)-N-methylcarbamate
PubChem CID23161300
Molecular FormulaC11H12ClN2O3-
Molecular Weight255.68 g/mol
Exact Mass255.05
IUPAC NameN-(4-acetamido-2-chloro-6-methylphenyl)-N-methylcarbamate
SMILESCC(=O)Nc1cc(C)c(N(C)C(=O)[O-])c(Cl)c1
InChIInChI=1S/C11H13ClN2O3/c1-6-4-8(13-7(2)15)5-9(12)10(6)14(3)11(16)17/h4-5H,1-3H3,(H,13,15)(H,16,17)/p-1
InChIKeyCFUHWQOOQPAHOT-UHFFFAOYSA-M
XLogP1.39
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-2-chloro-6-methylphenyl)-N-methylcarbamate?
The IUPAC name of N-(4-acetamido-2-chloro-6-methylphenyl)-N-methylcarbamate (CID 23161300) is N-(4-acetamido-2-chloro-6-methylphenyl)-N-methylcarbamate.
What is the SMILES notation for N-(4-acetamido-2-chloro-6-methylphenyl)-N-methylcarbamate?
The canonical SMILES for N-(4-acetamido-2-chloro-6-methylphenyl)-N-methylcarbamate is CC(=O)Nc1cc(C)c(N(C)C(=O)[O-])c(Cl)c1.
What is the InChIKey of N-(4-acetamido-2-chloro-6-methylphenyl)-N-methylcarbamate?
The InChIKey is CFUHWQOOQPAHOT-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H13ClN2O3/c1-6-4-8(13-7(2)15)5-9(12)10(6)14(3)11(16)17/h4-5H,1-3H3,(H,13,15)(H,16,17)/p-1.
What are the key properties of N-(4-acetamido-2-chloro-6-methylphenyl)-N-methylcarbamate?
N-(4-acetamido-2-chloro-6-methylphenyl)-N-methylcarbamate has a molecular weight of 255.68 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-2-chloro-6-methylphenyl)-N-methylcarbamate is sourced from PubChem (CID 23161300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).