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

C11H13ClNO2- — CID 21398762

IUPACN-(2-chloro-5-propan-2-ylphenyl)-N-methylcarbamate
SMILESCC(C)c1ccc(Cl)c(N(C)C(=O)[O-])c1
InChIInChI=1S/C11H14ClNO2/c1-7(2)8-4-5-9(12)10(6-8)13(3)11(14)15/h4-7H,1-3H3,(H,14,15)/p-1
InChIKeyTYFAVGKSNUPGIL-UHFFFAOYSA-M
MW226.68 g/mol
LogP2.24
Rot. Bonds2

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

N-(2-chloro-5-propan-2-ylphenyl)-N-methylcarbamate (PubChem CID 21398762) has the molecular formula C11H13ClNO2- and a molecular weight of 226.68 g/mol. Its IUPAC name is N-(2-chloro-5-propan-2-ylphenyl)-N-methylcarbamate.

Molecular Properties

Compound NameN-(2-chloro-5-propan-2-ylphenyl)-N-methylcarbamate
PubChem CID21398762
Molecular FormulaC11H13ClNO2-
Molecular Weight226.68 g/mol
Exact Mass226.06
IUPAC NameN-(2-chloro-5-propan-2-ylphenyl)-N-methylcarbamate
SMILESCC(C)c1ccc(Cl)c(N(C)C(=O)[O-])c1
InChIInChI=1S/C11H14ClNO2/c1-7(2)8-4-5-9(12)10(6-8)13(3)11(14)15/h4-7H,1-3H3,(H,14,15)/p-1
InChIKeyTYFAVGKSNUPGIL-UHFFFAOYSA-M
XLogP2.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.68
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-propan-2-ylphenyl)-N-methylcarbamate?
The IUPAC name of N-(2-chloro-5-propan-2-ylphenyl)-N-methylcarbamate (CID 21398762) is N-(2-chloro-5-propan-2-ylphenyl)-N-methylcarbamate.
What is the SMILES notation for N-(2-chloro-5-propan-2-ylphenyl)-N-methylcarbamate?
The canonical SMILES for N-(2-chloro-5-propan-2-ylphenyl)-N-methylcarbamate is CC(C)c1ccc(Cl)c(N(C)C(=O)[O-])c1.
What is the InChIKey of N-(2-chloro-5-propan-2-ylphenyl)-N-methylcarbamate?
The InChIKey is TYFAVGKSNUPGIL-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14ClNO2/c1-7(2)8-4-5-9(12)10(6-8)13(3)11(14)15/h4-7H,1-3H3,(H,14,15)/p-1.
What are the key properties of N-(2-chloro-5-propan-2-ylphenyl)-N-methylcarbamate?
N-(2-chloro-5-propan-2-ylphenyl)-N-methylcarbamate has a molecular weight of 226.68 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-propan-2-ylphenyl)-N-methylcarbamate is sourced from PubChem (CID 21398762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).