(2-chloro-3-methyl-6-propan-2-ylphenyl) N-methylcarbamate

C12H16ClNO2 — CID 28605

IUPAC(2-chloro-3-methyl-6-propan-2-ylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1c(C(C)C)ccc(C)c1Cl
InChIInChI=1S/C12H16ClNO2/c1-7(2)9-6-5-8(3)10(13)11(9)16-12(15)14-4/h5-7H,1-4H3,(H,14,15)
InChIKeySJFVLRSDYVADNO-UHFFFAOYSA-N
MW241.72 g/mol
LogP3.49
Rot. Bonds2

About (2-chloro-3-methyl-6-propan-2-ylphenyl) N-methylcarbamate

(2-chloro-3-methyl-6-propan-2-ylphenyl) N-methylcarbamate (PubChem CID 28605) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is (2-chloro-3-methyl-6-propan-2-ylphenyl) N-methylcarbamate.

Molecular Properties

Compound Name(2-chloro-3-methyl-6-propan-2-ylphenyl) N-methylcarbamate
PubChem CID28605
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name(2-chloro-3-methyl-6-propan-2-ylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1c(C(C)C)ccc(C)c1Cl
InChIInChI=1S/C12H16ClNO2/c1-7(2)9-6-5-8(3)10(13)11(9)16-12(15)14-4/h5-7H,1-4H3,(H,14,15)
InChIKeySJFVLRSDYVADNO-UHFFFAOYSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-chloro-3-methyl-6-propan-2-ylphenyl) N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-methyl-6-propan-2-ylphenyl) N-methylcarbamate?
The IUPAC name of (2-chloro-3-methyl-6-propan-2-ylphenyl) N-methylcarbamate (CID 28605) is (2-chloro-3-methyl-6-propan-2-ylphenyl) N-methylcarbamate.
What is the SMILES notation for (2-chloro-3-methyl-6-propan-2-ylphenyl) N-methylcarbamate?
The canonical SMILES for (2-chloro-3-methyl-6-propan-2-ylphenyl) N-methylcarbamate is CNC(=O)Oc1c(C(C)C)ccc(C)c1Cl.
What is the InChIKey of (2-chloro-3-methyl-6-propan-2-ylphenyl) N-methylcarbamate?
The InChIKey is SJFVLRSDYVADNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-7(2)9-6-5-8(3)10(13)11(9)16-12(15)14-4/h5-7H,1-4H3,(H,14,15).
What are the key properties of (2-chloro-3-methyl-6-propan-2-ylphenyl) N-methylcarbamate?
(2-chloro-3-methyl-6-propan-2-ylphenyl) N-methylcarbamate has a molecular weight of 241.72 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-methyl-6-propan-2-ylphenyl) N-methylcarbamate is sourced from PubChem (CID 28605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).