2-hydroxyethyl N-[1-(2,4-dichlorophenyl)ethyl]-N-methylcarbamate

C12H15Cl2NO3 — CID 79345570

IUPAC2-hydroxyethyl N-[1-(2,4-dichlorophenyl)ethyl]-N-methylcarbamate
SMILESCC(c1ccc(Cl)cc1Cl)N(C)C(=O)OCCO
InChIInChI=1S/C12H15Cl2NO3/c1-8(15(2)12(17)18-6-5-16)10-4-3-9(13)7-11(10)14/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeyUKBVDILYIRWYOY-UHFFFAOYSA-N
MW292.16 g/mol
LogP3.12
Rot. Bonds4

About 2-hydroxyethyl N-[1-(2,4-dichlorophenyl)ethyl]-N-methylcarbamate

2-hydroxyethyl N-[1-(2,4-dichlorophenyl)ethyl]-N-methylcarbamate (PubChem CID 79345570) has the molecular formula C12H15Cl2NO3 and a molecular weight of 292.16 g/mol. Its IUPAC name is 2-hydroxyethyl N-[1-(2,4-dichlorophenyl)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[1-(2,4-dichlorophenyl)ethyl]-N-methylcarbamate
PubChem CID79345570
Molecular FormulaC12H15Cl2NO3
Molecular Weight292.16 g/mol
Exact Mass291.04
IUPAC Name2-hydroxyethyl N-[1-(2,4-dichlorophenyl)ethyl]-N-methylcarbamate
SMILESCC(c1ccc(Cl)cc1Cl)N(C)C(=O)OCCO
InChIInChI=1S/C12H15Cl2NO3/c1-8(15(2)12(17)18-6-5-16)10-4-3-9(13)7-11(10)14/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeyUKBVDILYIRWYOY-UHFFFAOYSA-N
XLogP3.12
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.16
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119286052
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylbutanamide
CID 54870634
ethyl 4-[1-(2,4-dichlorophenyl)ethyl-methylamino]-4-oxobutanoate
CID 60735485
5-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-methyl-5-oxopentanoic acid
CID 62963870
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949740
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)urea
CID 51934926
(2R)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 103929187
2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
CID 13268038
N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-ethoxyphenyl)-N-methylacetamide
CID 55583785
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide
CID 61106865
2-(2,4-dichlorophenyl)-N-methylpropanehydrazide
CID 116845828
2-[1-(2,4-dichlorophenyl)ethyl-methylamino]butanoic acid
CID 65067886

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[1-(2,4-dichlorophenyl)ethyl]-N-methylcarbamate?
The IUPAC name of 2-hydroxyethyl N-[1-(2,4-dichlorophenyl)ethyl]-N-methylcarbamate (CID 79345570) is 2-hydroxyethyl N-[1-(2,4-dichlorophenyl)ethyl]-N-methylcarbamate.
What is the SMILES notation for 2-hydroxyethyl N-[1-(2,4-dichlorophenyl)ethyl]-N-methylcarbamate?
The canonical SMILES for 2-hydroxyethyl N-[1-(2,4-dichlorophenyl)ethyl]-N-methylcarbamate is CC(c1ccc(Cl)cc1Cl)N(C)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl N-[1-(2,4-dichlorophenyl)ethyl]-N-methylcarbamate?
The InChIKey is UKBVDILYIRWYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO3/c1-8(15(2)12(17)18-6-5-16)10-4-3-9(13)7-11(10)14/h3-4,7-8,16H,5-6H2,1-2H3.
What are the key properties of 2-hydroxyethyl N-[1-(2,4-dichlorophenyl)ethyl]-N-methylcarbamate?
2-hydroxyethyl N-[1-(2,4-dichlorophenyl)ethyl]-N-methylcarbamate has a molecular weight of 292.16 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[1-(2,4-dichlorophenyl)ethyl]-N-methylcarbamate is sourced from PubChem (CID 79345570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).