tert-butyl N-(2-amino-4-bromo-3-fluorophenyl)carbamate

C11H14BrFN2O2 — CID 142620655

IUPACtert-butyl N-(2-amino-4-bromo-3-fluorophenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Br)c(F)c1N
InChIInChI=1S/C11H14BrFN2O2/c1-11(2,3)17-10(16)15-7-5-4-6(12)8(13)9(7)14/h4-5H,14H2,1-3H3,(H,15,16)
InChIKeyINJHLLWYOZWWQR-UHFFFAOYSA-N
MW305.15 g/mol
LogP3.52
Rot. Bonds1

About tert-butyl N-(2-amino-4-bromo-3-fluorophenyl)carbamate

tert-butyl N-(2-amino-4-bromo-3-fluorophenyl)carbamate (PubChem CID 142620655) has the molecular formula C11H14BrFN2O2 and a molecular weight of 305.15 g/mol. Its IUPAC name is tert-butyl N-(2-amino-4-bromo-3-fluorophenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-amino-4-bromo-3-fluorophenyl)carbamate
PubChem CID142620655
Molecular FormulaC11H14BrFN2O2
Molecular Weight305.15 g/mol
Exact Mass304.02
IUPAC Nametert-butyl N-(2-amino-4-bromo-3-fluorophenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Br)c(F)c1N
InChIInChI=1S/C11H14BrFN2O2/c1-11(2,3)17-10(16)15-7-5-4-6(12)8(13)9(7)14/h4-5H,14H2,1-3H3,(H,15,16)
InChIKeyINJHLLWYOZWWQR-UHFFFAOYSA-N
XLogP3.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze tert-butyl N-(2-amino-4-bromo-3-fluorophenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-2-fluoro-6-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 130755266
tert-butyl N-(5-bromo-2,3-difluoro-4-methylphenyl)carbamate
CID 169077590
tert-butyl N-(4-bromo-2-fluorophenyl)carbamate
CID 22736228
tert-butyl N-(2-bromo-4-methylsulfanylphenyl)carbamate
CID 167736245
tert-butyl N-[4-bromo-2-fluoro-3-(2-fluorophenoxy)phenyl]carbamate
CID 177164471
tert-butyl N-(2-amino-3-methylphenyl)carbamate
CID 76849218
tert-butyl N-(2-bromo-3-fluoro-4-pyridinyl)carbamate
CID 118295548
tert-butyl N-[4-bromo-2-fluoro-3-(2-methylbenzoyl)phenyl]carbamate
CID 177164481
tert-butyl N-(7-bromo-1,3-benzodioxol-4-yl)carbamate
CID 166541090
tert-butyl N-(5-bromo-4-fluoro-2-formylphenyl)carbamate
CID 163399231
3-fluoro-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 165144923
tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate
CID 75487739

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-amino-4-bromo-3-fluorophenyl)carbamate?
The IUPAC name of tert-butyl N-(2-amino-4-bromo-3-fluorophenyl)carbamate (CID 142620655) is tert-butyl N-(2-amino-4-bromo-3-fluorophenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-amino-4-bromo-3-fluorophenyl)carbamate?
The canonical SMILES for tert-butyl N-(2-amino-4-bromo-3-fluorophenyl)carbamate is CC(C)(C)OC(=O)Nc1ccc(Br)c(F)c1N.
What is the InChIKey of tert-butyl N-(2-amino-4-bromo-3-fluorophenyl)carbamate?
The InChIKey is INJHLLWYOZWWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2/c1-11(2,3)17-10(16)15-7-5-4-6(12)8(13)9(7)14/h4-5H,14H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-(2-amino-4-bromo-3-fluorophenyl)carbamate?
tert-butyl N-(2-amino-4-bromo-3-fluorophenyl)carbamate has a molecular weight of 305.15 g/mol, XLogP of 3.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-amino-4-bromo-3-fluorophenyl)carbamate is sourced from PubChem (CID 142620655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).