tert-butyl N-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]carbamate

C13H17Cl2NO3 — CID 66635361

IUPACtert-butyl N-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO3/c1-13(2,3)19-12(18)16-7-10(17)8-5-4-6-9(14)11(8)15/h4-6,10,17H,7H2,1-3H3,(H,16,18)
InChIKeyPZOCUNORBGNNOG-UHFFFAOYSA-N
MW306.19 g/mol
LogP3.55
Rot. Bonds3

About tert-butyl N-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]carbamate

tert-butyl N-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]carbamate (PubChem CID 66635361) has the molecular formula C13H17Cl2NO3 and a molecular weight of 306.19 g/mol. Its IUPAC name is tert-butyl N-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]carbamate
PubChem CID66635361
Molecular FormulaC13H17Cl2NO3
Molecular Weight306.19 g/mol
Exact Mass305.06
IUPAC Nametert-butyl N-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO3/c1-13(2,3)19-12(18)16-7-10(17)8-5-4-6-9(14)11(8)15/h4-6,10,17H,7H2,1-3H3,(H,16,18)
InChIKeyPZOCUNORBGNNOG-UHFFFAOYSA-N
XLogP3.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2R)-2-amino-2-(2-chlorophenyl)ethyl]carbamate
CID 51601253
tert-butyl N-[2-(2-chlorophenyl)-3-hydroxypropyl]carbamate
CID 66635358
tert-butyl N-[3-amino-2-(2-chlorophenyl)propyl]carbamate
CID 84730749
methyl 3-(2,3-dichlorophenyl)-3-hydroxypropanoate
CID 19770432
tert-butyl N-[(2S)-2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]carbamate
CID 99909250
tert-butyl N-[2-[(2,6-dichlorophenyl)methyl]-3-hydroxypropyl]carbamate
CID 106508926
tert-butyl N-[3-(2,3-dihydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833404
tert-butyl N-[2-(3-chloro-2-methylanilino)ethyl]carbamate
CID 112702215
tert-butyl N-[4-(2-chloro-6-fluorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171884407
tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate
CID 12071428
tert-butyl N-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]carbamate
CID 99867079
tert-butyl N-[2-(2-amino-6-chloroanilino)ethyl]carbamate
CID 114518019

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]carbamate (CID 66635361) is tert-butyl N-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]carbamate is CC(C)(C)OC(=O)NCC(O)c1cccc(Cl)c1Cl.
What is the InChIKey of tert-butyl N-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]carbamate?
The InChIKey is PZOCUNORBGNNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO3/c1-13(2,3)19-12(18)16-7-10(17)8-5-4-6-9(14)11(8)15/h4-6,10,17H,7H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]carbamate?
tert-butyl N-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]carbamate has a molecular weight of 306.19 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]carbamate is sourced from PubChem (CID 66635361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).