[1-(4-chlorophenyl)cyclobutyl] carbamate

C11H12ClNO2 — CID 68798340

IUPAC[1-(4-chlorophenyl)cyclobutyl] carbamate
SMILESNC(=O)OC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C11H12ClNO2/c12-9-4-2-8(3-5-9)11(6-1-7-11)15-10(13)14/h2-5H,1,6-7H2,(H2,13,14)
InChIKeyGNFVKDGCPKUXLK-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.81
Rot. Bonds2

About [1-(4-chlorophenyl)cyclobutyl] carbamate

[1-(4-chlorophenyl)cyclobutyl] carbamate (PubChem CID 68798340) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclobutyl] carbamate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclobutyl] carbamate
PubChem CID68798340
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Name[1-(4-chlorophenyl)cyclobutyl] carbamate
SMILESNC(=O)OC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C11H12ClNO2/c12-9-4-2-8(3-5-9)11(6-1-7-11)15-10(13)14/h2-5H,1,6-7H2,(H2,13,14)
InChIKeyGNFVKDGCPKUXLK-UHFFFAOYSA-N
XLogP2.81
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(4-chlorophenyl)cyclobutyl] carbamate 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 [1-(4-chlorophenyl)cyclobutyl] carbamate?
The IUPAC name of [1-(4-chlorophenyl)cyclobutyl] carbamate (CID 68798340) is [1-(4-chlorophenyl)cyclobutyl] carbamate.
What is the SMILES notation for [1-(4-chlorophenyl)cyclobutyl] carbamate?
The canonical SMILES for [1-(4-chlorophenyl)cyclobutyl] carbamate is NC(=O)OC1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of [1-(4-chlorophenyl)cyclobutyl] carbamate?
The InChIKey is GNFVKDGCPKUXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c12-9-4-2-8(3-5-9)11(6-1-7-11)15-10(13)14/h2-5H,1,6-7H2,(H2,13,14).
What are the key properties of [1-(4-chlorophenyl)cyclobutyl] carbamate?
[1-(4-chlorophenyl)cyclobutyl] carbamate has a molecular weight of 225.68 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclobutyl] carbamate is sourced from PubChem (CID 68798340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).