(3-bromo-2-tert-butylphenyl) carbamate

C11H14BrNO2 — CID 153406266

IUPAC(3-bromo-2-tert-butylphenyl) carbamate
SMILESCC(C)(C)c1c(Br)cccc1OC(N)=O
InChIInChI=1S/C11H14BrNO2/c1-11(2,3)9-7(12)5-4-6-8(9)15-10(13)14/h4-6H,1-3H3,(H2,13,14)
InChIKeyCCKNEWBAXFUKKI-UHFFFAOYSA-N
MW272.14 g/mol
LogP3.20
Rot. Bonds1

About (3-bromo-2-tert-butylphenyl) carbamate

(3-bromo-2-tert-butylphenyl) carbamate (PubChem CID 153406266) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is (3-bromo-2-tert-butylphenyl) carbamate.

Molecular Properties

Compound Name(3-bromo-2-tert-butylphenyl) carbamate
PubChem CID153406266
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name(3-bromo-2-tert-butylphenyl) carbamate
SMILESCC(C)(C)c1c(Br)cccc1OC(N)=O
InChIInChI=1S/C11H14BrNO2/c1-11(2,3)9-7(12)5-4-6-8(9)15-10(13)14/h4-6H,1-3H3,(H2,13,14)
InChIKeyCCKNEWBAXFUKKI-UHFFFAOYSA-N
XLogP3.20
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-bromo-2-tert-butylphenyl) 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 (3-bromo-2-tert-butylphenyl) carbamate?
The IUPAC name of (3-bromo-2-tert-butylphenyl) carbamate (CID 153406266) is (3-bromo-2-tert-butylphenyl) carbamate.
What is the SMILES notation for (3-bromo-2-tert-butylphenyl) carbamate?
The canonical SMILES for (3-bromo-2-tert-butylphenyl) carbamate is CC(C)(C)c1c(Br)cccc1OC(N)=O.
What is the InChIKey of (3-bromo-2-tert-butylphenyl) carbamate?
The InChIKey is CCKNEWBAXFUKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-11(2,3)9-7(12)5-4-6-8(9)15-10(13)14/h4-6H,1-3H3,(H2,13,14).
What are the key properties of (3-bromo-2-tert-butylphenyl) carbamate?
(3-bromo-2-tert-butylphenyl) carbamate has a molecular weight of 272.14 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-tert-butylphenyl) carbamate is sourced from PubChem (CID 153406266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).