tert-butyl N-(2,3-dichloro-4-fluorophenyl)carbamate

C11H12Cl2FNO2 — CID 68582591

IUPACtert-butyl N-(2,3-dichloro-4-fluorophenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(F)c(Cl)c1Cl
InChIInChI=1S/C11H12Cl2FNO2/c1-11(2,3)17-10(16)15-7-5-4-6(14)8(12)9(7)13/h4-5H,1-3H3,(H,15,16)
InChIKeyOXSPSGXCCFKUMD-UHFFFAOYSA-N
MW280.13 g/mol
LogP4.48
Rot. Bonds1

About tert-butyl N-(2,3-dichloro-4-fluorophenyl)carbamate

tert-butyl N-(2,3-dichloro-4-fluorophenyl)carbamate (PubChem CID 68582591) has the molecular formula C11H12Cl2FNO2 and a molecular weight of 280.13 g/mol. Its IUPAC name is tert-butyl N-(2,3-dichloro-4-fluorophenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,3-dichloro-4-fluorophenyl)carbamate
PubChem CID68582591
Molecular FormulaC11H12Cl2FNO2
Molecular Weight280.13 g/mol
Exact Mass279.02
IUPAC Nametert-butyl N-(2,3-dichloro-4-fluorophenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(F)c(Cl)c1Cl
InChIInChI=1S/C11H12Cl2FNO2/c1-11(2,3)17-10(16)15-7-5-4-6(14)8(12)9(7)13/h4-5H,1-3H3,(H,15,16)
InChIKeyOXSPSGXCCFKUMD-UHFFFAOYSA-N
XLogP4.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze tert-butyl N-(2,3-dichloro-4-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

[5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium
CID 144745130
tert-butyl N-(2,5-dichlorophenyl)carbamate
CID 4935502
tert-butyl N-(2,5-difluorophenyl)carbamate
CID 14690685
tert-butyl N-[4-(2-bromoacetyl)-2-chloro-3-fluorophenyl]carbamate
CID 164842730
tert-butyl N-(5-chloro-2,4-difluorophenyl)carbamate
CID 131118705
tert-butyl N-[4-chloro-2-(chloromethyl)phenyl]carbamate
CID 117236568
tert-butyl N-(6-chloro-2-iodo-3-pyridinyl)carbamate
CID 90341107
tert-butyl N-(3-amino-2-chlorophenyl)carbamate
CID 130506591
tert-butyl N-(4-bromo-2-fluorophenyl)carbamate
CID 22736228
tert-butyl N-[2-(chloromethyl)-3-fluorophenyl]carbamate
CID 117236552
tert-butyl N-[2-chloro-4-(1-ethoxyethenyl)-3-fluorophenyl]carbamate
CID 164842667
tert-butyl N-(2-chloro-4-fluoro-5-methylphenyl)carbamate
CID 130520747

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,3-dichloro-4-fluorophenyl)carbamate?
The IUPAC name of tert-butyl N-(2,3-dichloro-4-fluorophenyl)carbamate (CID 68582591) is tert-butyl N-(2,3-dichloro-4-fluorophenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2,3-dichloro-4-fluorophenyl)carbamate?
The canonical SMILES for tert-butyl N-(2,3-dichloro-4-fluorophenyl)carbamate is CC(C)(C)OC(=O)Nc1ccc(F)c(Cl)c1Cl.
What is the InChIKey of tert-butyl N-(2,3-dichloro-4-fluorophenyl)carbamate?
The InChIKey is OXSPSGXCCFKUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2FNO2/c1-11(2,3)17-10(16)15-7-5-4-6(14)8(12)9(7)13/h4-5H,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-(2,3-dichloro-4-fluorophenyl)carbamate?
tert-butyl N-(2,3-dichloro-4-fluorophenyl)carbamate has a molecular weight of 280.13 g/mol, XLogP of 4.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,3-dichloro-4-fluorophenyl)carbamate is sourced from PubChem (CID 68582591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).