tert-butyl N-(2,5-dichlorophenyl)carbamate

C11H13Cl2NO2 — CID 4935502

IUPACtert-butyl N-(2,5-dichlorophenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2NO2/c1-11(2,3)16-10(15)14-9-6-7(12)4-5-8(9)13/h4-6H,1-3H3,(H,14,15)
InChIKeyVQXFKPLJVRPRCX-UHFFFAOYSA-N
MW262.14 g/mol
LogP4.34
Rot. Bonds1

About tert-butyl N-(2,5-dichlorophenyl)carbamate

tert-butyl N-(2,5-dichlorophenyl)carbamate (PubChem CID 4935502) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is tert-butyl N-(2,5-dichlorophenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,5-dichlorophenyl)carbamate
PubChem CID4935502
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Nametert-butyl N-(2,5-dichlorophenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2NO2/c1-11(2,3)16-10(15)14-9-6-7(12)4-5-8(9)13/h4-6H,1-3H3,(H,14,15)
InChIKeyVQXFKPLJVRPRCX-UHFFFAOYSA-N
XLogP4.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[5-chloro-2-(hydroxymethyl)phenyl]carbamate
CID 117236586
[5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium
CID 144745130
tert-butyl N-[2-chloro-5-(methylcarbamoyl)phenyl]carbamate
CID 65142598
tert-butyl N-(2-chloro-5-nitrophenyl)carbamate
CID 58553070
tert-butyl N-[4-chloro-2-(chloromethyl)phenyl]carbamate
CID 117236568
tert-butyl N-[2-chloro-5-(1-hydroxycyclopropyl)phenyl]carbamate
CID 117117411
tert-butyl N-[2-chloro-5-(2-hydroxypropyl)phenyl]carbamate
CID 117114508
N-(2,5-dichlorophenyl)-2,2-dimethylbutanamide
CID 4629651
tert-butyl N-(2-chloro-4-fluoro-5-methylphenyl)carbamate
CID 130520747
tert-butyl N-[2-[2-(2,5-dichlorophenyl)hydrazinyl]-2-oxoethyl]carbamate
CID 142632500
tert-butyl N-(2-chloro-4-hydroxyphenyl)carbamate
CID 54121498
tert-butyl N-(2,3-dichloro-4-fluorophenyl)carbamate
CID 68582591

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,5-dichlorophenyl)carbamate?
The IUPAC name of tert-butyl N-(2,5-dichlorophenyl)carbamate (CID 4935502) is tert-butyl N-(2,5-dichlorophenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2,5-dichlorophenyl)carbamate?
The canonical SMILES for tert-butyl N-(2,5-dichlorophenyl)carbamate is CC(C)(C)OC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of tert-butyl N-(2,5-dichlorophenyl)carbamate?
The InChIKey is VQXFKPLJVRPRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-11(2,3)16-10(15)14-9-6-7(12)4-5-8(9)13/h4-6H,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-(2,5-dichlorophenyl)carbamate?
tert-butyl N-(2,5-dichlorophenyl)carbamate has a molecular weight of 262.14 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,5-dichlorophenyl)carbamate is sourced from PubChem (CID 4935502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).