(2-chloro-5-propan-2-ylphenyl) N-methylcarbamate

C11H14ClNO2 — CID 17681

IUPAC(2-chloro-5-propan-2-ylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1cc(C(C)C)ccc1Cl
InChIInChI=1S/C11H14ClNO2/c1-7(2)8-4-5-9(12)10(6-8)15-11(14)13-3/h4-7H,1-3H3,(H,13,14)
InChIKeyCZGFTPWPELNYCV-UHFFFAOYSA-N
MW227.69 g/mol
LogP3.18
Rot. Bonds2

About (2-chloro-5-propan-2-ylphenyl) N-methylcarbamate

(2-chloro-5-propan-2-ylphenyl) N-methylcarbamate (PubChem CID 17681) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is (2-chloro-5-propan-2-ylphenyl) N-methylcarbamate.

Molecular Properties

Compound Name(2-chloro-5-propan-2-ylphenyl) N-methylcarbamate
PubChem CID17681
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name(2-chloro-5-propan-2-ylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1cc(C(C)C)ccc1Cl
InChIInChI=1S/C11H14ClNO2/c1-7(2)8-4-5-9(12)10(6-8)15-11(14)13-3/h4-7H,1-3H3,(H,13,14)
InChIKeyCZGFTPWPELNYCV-UHFFFAOYSA-N
XLogP3.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-chloro-5-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-5-propan-2-ylphenyl) N-methylcarbamate?
The IUPAC name of (2-chloro-5-propan-2-ylphenyl) N-methylcarbamate (CID 17681) is (2-chloro-5-propan-2-ylphenyl) N-methylcarbamate.
What is the SMILES notation for (2-chloro-5-propan-2-ylphenyl) N-methylcarbamate?
The canonical SMILES for (2-chloro-5-propan-2-ylphenyl) N-methylcarbamate is CNC(=O)Oc1cc(C(C)C)ccc1Cl.
What is the InChIKey of (2-chloro-5-propan-2-ylphenyl) N-methylcarbamate?
The InChIKey is CZGFTPWPELNYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-7(2)8-4-5-9(12)10(6-8)15-11(14)13-3/h4-7H,1-3H3,(H,13,14).
What are the key properties of (2-chloro-5-propan-2-ylphenyl) N-methylcarbamate?
(2-chloro-5-propan-2-ylphenyl) N-methylcarbamate has a molecular weight of 227.69 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-propan-2-ylphenyl) N-methylcarbamate is sourced from PubChem (CID 17681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).