tert-butyl N-[2-(2,4-dichlorophenyl)ethyl]carbamate

C13H17Cl2NO2 — CID 63787795

IUPACtert-butyl N-[2-(2,4-dichlorophenyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-13(2,3)18-12(17)16-7-6-9-4-5-10(14)8-11(9)15/h4-5,8H,6-7H2,1-3H3,(H,16,17)
InChIKeyUKBDQPTXHBMGQF-UHFFFAOYSA-N
MW290.19 g/mol
LogP4.06
Rot. Bonds3

About tert-butyl N-[2-(2,4-dichlorophenyl)ethyl]carbamate

tert-butyl N-[2-(2,4-dichlorophenyl)ethyl]carbamate (PubChem CID 63787795) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is tert-butyl N-[2-(2,4-dichlorophenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2,4-dichlorophenyl)ethyl]carbamate
PubChem CID63787795
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Nametert-butyl N-[2-(2,4-dichlorophenyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-13(2,3)18-12(17)16-7-6-9-4-5-10(14)8-11(9)15/h4-5,8H,6-7H2,1-3H3,(H,16,17)
InChIKeyUKBDQPTXHBMGQF-UHFFFAOYSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Urea, (2,4-dichlorophenethyl)-
CID 205068
ethyl N-[4-[2-(4-chlorophenyl)ethylamino]-4-oxobutyl]carbamate
CID 155559606
tert-butyl N-[2-[(2,4-dichlorophenyl)methylsulfanylcarbonylsulfanyl]ethyl]carbamate
CID 162649255
tert-butyl N-[2-(3,4-dichlorophenyl)ethyl]carbamate
CID 11818593
tert-butyl N-[2-amino-1-(4-chlorophenyl)ethyl]carbamate
CID 57750386
ethyl N-[2-(2-chloro-6-fluorophenyl)ethyl]carbamate
CID 2804989
tert-butyl N-[(1S)-1-(4-chlorophenyl)-2-fluoroethyl]carbamate
CID 25030687
Ethyl (4-chlorobenzyl)carbamate
CID 874364
Methyl (3-chlorophenethyl)carbamate
CID 897069
2-(Boc-amino)-2-(2-chlorophenyl)ethanamine
CID 59536931
tert-butyl N-(2-amino-2-(3,5-dichlorophenyl)ethyl)carbamate
CID 165621587
tert-butyl N-[2-amino-2-(2-chloro-5-fluorophenyl)ethyl]carbamate
CID 165623626

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2,4-dichlorophenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2,4-dichlorophenyl)ethyl]carbamate (CID 63787795) is tert-butyl N-[2-(2,4-dichlorophenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2,4-dichlorophenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2,4-dichlorophenyl)ethyl]carbamate is CC(C)(C)OC(=O)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of tert-butyl N-[2-(2,4-dichlorophenyl)ethyl]carbamate?
The InChIKey is UKBDQPTXHBMGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-13(2,3)18-12(17)16-7-6-9-4-5-10(14)8-11(9)15/h4-5,8H,6-7H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-[2-(2,4-dichlorophenyl)ethyl]carbamate?
tert-butyl N-[2-(2,4-dichlorophenyl)ethyl]carbamate has a molecular weight of 290.19 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2,4-dichlorophenyl)ethyl]carbamate is sourced from PubChem (CID 63787795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).