[2-chloro-5-(2-methylbutan-2-yl)phenyl] N-methylcarbamate

C13H18ClNO2 — CID 27571

IUPAC[2-chloro-5-(2-methylbutan-2-yl)phenyl] N-methylcarbamate
SMILESCCC(C)(C)c1ccc(Cl)c(OC(=O)NC)c1
InChIInChI=1S/C13H18ClNO2/c1-5-13(2,3)9-6-7-10(14)11(8-9)17-12(16)15-4/h6-8H,5H2,1-4H3,(H,15,16)
InChIKeyBBRASQCNDLKYHM-UHFFFAOYSA-N
MW255.75 g/mol
LogP3.75
Rot. Bonds3

About [2-chloro-5-(2-methylbutan-2-yl)phenyl] N-methylcarbamate

[2-chloro-5-(2-methylbutan-2-yl)phenyl] N-methylcarbamate (PubChem CID 27571) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is [2-chloro-5-(2-methylbutan-2-yl)phenyl] N-methylcarbamate.

Molecular Properties

Compound Name[2-chloro-5-(2-methylbutan-2-yl)phenyl] N-methylcarbamate
PubChem CID27571
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name[2-chloro-5-(2-methylbutan-2-yl)phenyl] N-methylcarbamate
SMILESCCC(C)(C)c1ccc(Cl)c(OC(=O)NC)c1
InChIInChI=1S/C13H18ClNO2/c1-5-13(2,3)9-6-7-10(14)11(8-9)17-12(16)15-4/h6-8H,5H2,1-4H3,(H,15,16)
InChIKeyBBRASQCNDLKYHM-UHFFFAOYSA-N
XLogP3.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-(2-methylbutan-2-yl)phenyl] N-methylcarbamate?
The IUPAC name of [2-chloro-5-(2-methylbutan-2-yl)phenyl] N-methylcarbamate (CID 27571) is [2-chloro-5-(2-methylbutan-2-yl)phenyl] N-methylcarbamate.
What is the SMILES notation for [2-chloro-5-(2-methylbutan-2-yl)phenyl] N-methylcarbamate?
The canonical SMILES for [2-chloro-5-(2-methylbutan-2-yl)phenyl] N-methylcarbamate is CCC(C)(C)c1ccc(Cl)c(OC(=O)NC)c1.
What is the InChIKey of [2-chloro-5-(2-methylbutan-2-yl)phenyl] N-methylcarbamate?
The InChIKey is BBRASQCNDLKYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-5-13(2,3)9-6-7-10(14)11(8-9)17-12(16)15-4/h6-8H,5H2,1-4H3,(H,15,16).
What are the key properties of [2-chloro-5-(2-methylbutan-2-yl)phenyl] N-methylcarbamate?
[2-chloro-5-(2-methylbutan-2-yl)phenyl] N-methylcarbamate has a molecular weight of 255.75 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-(2-methylbutan-2-yl)phenyl] N-methylcarbamate is sourced from PubChem (CID 27571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).