(2,3-dichlorophenyl) N-methylcarbamate;hydrochloride

C8H8Cl3NO2 — CID 141106897

IUPAC(2,3-dichlorophenyl) N-methylcarbamate;hydrochloride
SMILESCNC(=O)Oc1cccc(Cl)c1Cl.Cl
InChIInChI=1S/C8H7Cl2NO2.ClH/c1-11-8(12)13-6-4-2-3-5(9)7(6)10;/h2-4H,1H3,(H,11,12);1H
InChIKeyZDFFKOMVGKJKPP-UHFFFAOYSA-N
MW256.52 g/mol
LogP3.13
Rot. Bonds1

About (2,3-dichlorophenyl) N-methylcarbamate;hydrochloride

(2,3-dichlorophenyl) N-methylcarbamate;hydrochloride (PubChem CID 141106897) has the molecular formula C8H8Cl3NO2 and a molecular weight of 256.52 g/mol. Its IUPAC name is (2,3-dichlorophenyl) N-methylcarbamate;hydrochloride.

Molecular Properties

Compound Name(2,3-dichlorophenyl) N-methylcarbamate;hydrochloride
PubChem CID141106897
Molecular FormulaC8H8Cl3NO2
Molecular Weight256.52 g/mol
Exact Mass254.96
IUPAC Name(2,3-dichlorophenyl) N-methylcarbamate;hydrochloride
SMILESCNC(=O)Oc1cccc(Cl)c1Cl.Cl
InChIInChI=1S/C8H7Cl2NO2.ClH/c1-11-8(12)13-6-4-2-3-5(9)7(6)10;/h2-4H,1H3,(H,11,12);1H
InChIKeyZDFFKOMVGKJKPP-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.52
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dichlorophenyl) N-(4-methylphenyl)sulfonylcarbamate
CID 165353514
(2,3-dichlorophenyl) 2,3-dichlorobenzoate
CID 68641846
naphthalen-1-yl N-methylcarbamate
CID 23447097
(2-chloro-4,5-dimethylphenyl) N-methylcarbamate;hydrochloride
CID 172729732
(2,3-dichlorophenyl) 2-bromoacetate
CID 91723900
(2,3-dichlorophenyl) 2,2-diphenylacetate
CID 5086798
(2,3-dichlorophenyl) 2-cyano-3-oxobutanoate
CID 57095461
1-benzothiophen-7-yl N-methylcarbamate
CID 130006120
(2,3-dichlorophenyl) 4-ethylbenzoate
CID 91714670
(2,3-dichlorophenyl) ethaneperoxoate
CID 87265241
[2-chloro-5-(dimethylamino)phenyl] N-methylcarbamate;hydrochloride
CID 138400916
calcium;hydride;naphthalen-1-yl N-methylcarbamate
CID 173073118

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl) N-methylcarbamate;hydrochloride?
The IUPAC name of (2,3-dichlorophenyl) N-methylcarbamate;hydrochloride (CID 141106897) is (2,3-dichlorophenyl) N-methylcarbamate;hydrochloride.
What is the SMILES notation for (2,3-dichlorophenyl) N-methylcarbamate;hydrochloride?
The canonical SMILES for (2,3-dichlorophenyl) N-methylcarbamate;hydrochloride is CNC(=O)Oc1cccc(Cl)c1Cl.Cl.
What is the InChIKey of (2,3-dichlorophenyl) N-methylcarbamate;hydrochloride?
The InChIKey is ZDFFKOMVGKJKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO2.ClH/c1-11-8(12)13-6-4-2-3-5(9)7(6)10;/h2-4H,1H3,(H,11,12);1H.
What are the key properties of (2,3-dichlorophenyl) N-methylcarbamate;hydrochloride?
(2,3-dichlorophenyl) N-methylcarbamate;hydrochloride has a molecular weight of 256.52 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl) N-methylcarbamate;hydrochloride is sourced from PubChem (CID 141106897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).