(2-chloro-4,5-dimethylphenyl) N-methylcarbamate

C10H12ClNO2 — CID 522251

IUPAC(2-chloro-4,5-dimethylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1cc(C)c(C)cc1Cl
InChIInChI=1S/C10H12ClNO2/c1-6-4-8(11)9(5-7(6)2)14-10(13)12-3/h4-5H,1-3H3,(H,12,13)
InChIKeyQRTXZGIQTYDABO-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.68
Rot. Bonds1

About (2-chloro-4,5-dimethylphenyl) N-methylcarbamate

(2-chloro-4,5-dimethylphenyl) N-methylcarbamate (PubChem CID 522251) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is (2-chloro-4,5-dimethylphenyl) N-methylcarbamate.

Molecular Properties

Compound Name(2-chloro-4,5-dimethylphenyl) N-methylcarbamate
PubChem CID522251
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name(2-chloro-4,5-dimethylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1cc(C)c(C)cc1Cl
InChIInChI=1S/C10H12ClNO2/c1-6-4-8(11)9(5-7(6)2)14-10(13)12-3/h4-5H,1-3H3,(H,12,13)
InChIKeyQRTXZGIQTYDABO-UHFFFAOYSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethylphenyl) N-methylcarbamate?
The IUPAC name of (2-chloro-4,5-dimethylphenyl) N-methylcarbamate (CID 522251) is (2-chloro-4,5-dimethylphenyl) N-methylcarbamate.
What is the SMILES notation for (2-chloro-4,5-dimethylphenyl) N-methylcarbamate?
The canonical SMILES for (2-chloro-4,5-dimethylphenyl) N-methylcarbamate is CNC(=O)Oc1cc(C)c(C)cc1Cl.
What is the InChIKey of (2-chloro-4,5-dimethylphenyl) N-methylcarbamate?
The InChIKey is QRTXZGIQTYDABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-6-4-8(11)9(5-7(6)2)14-10(13)12-3/h4-5H,1-3H3,(H,12,13).
What are the key properties of (2-chloro-4,5-dimethylphenyl) N-methylcarbamate?
(2-chloro-4,5-dimethylphenyl) N-methylcarbamate has a molecular weight of 213.66 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-dimethylphenyl) N-methylcarbamate is sourced from PubChem (CID 522251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).