(2-chloro-4,5-dimethylphenyl) N-methylcarbamate;hydrochloride

C10H13Cl2NO2 — CID 172729732

IUPAC(2-chloro-4,5-dimethylphenyl) N-methylcarbamate;hydrochloride
SMILESCNC(=O)Oc1cc(C)c(C)cc1Cl.Cl
InChIInChI=1S/C10H12ClNO2.ClH/c1-6-4-8(11)9(5-7(6)2)14-10(13)12-3;/h4-5H,1-3H3,(H,12,13);1H
InChIKeyHQAMKPDCIUFYGZ-UHFFFAOYSA-N
MW250.12 g/mol
LogP3.10
Rot. Bonds1

About (2-chloro-4,5-dimethylphenyl) N-methylcarbamate;hydrochloride

(2-chloro-4,5-dimethylphenyl) N-methylcarbamate;hydrochloride (PubChem CID 172729732) has the molecular formula C10H13Cl2NO2 and a molecular weight of 250.12 g/mol. Its IUPAC name is (2-chloro-4,5-dimethylphenyl) N-methylcarbamate;hydrochloride.

Molecular Properties

Compound Name(2-chloro-4,5-dimethylphenyl) N-methylcarbamate;hydrochloride
PubChem CID172729732
Molecular FormulaC10H13Cl2NO2
Molecular Weight250.12 g/mol
Exact Mass249.03
IUPAC Name(2-chloro-4,5-dimethylphenyl) N-methylcarbamate;hydrochloride
SMILESCNC(=O)Oc1cc(C)c(C)cc1Cl.Cl
InChIInChI=1S/C10H12ClNO2.ClH/c1-6-4-8(11)9(5-7(6)2)14-10(13)12-3;/h4-5H,1-3H3,(H,12,13);1H
InChIKeyHQAMKPDCIUFYGZ-UHFFFAOYSA-N
XLogP3.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4,5-dimethylphenyl) N-methylcarbamate;phenol
CID 21114999
[2-chloro-5-(dimethylamino)phenyl] N-methylcarbamate;hydrochloride
CID 138400916
(2,3-dichlorophenyl) N-methylcarbamate;hydrochloride
CID 141106897
(2,3,5-trimethylphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate
CID 25549
ethyl 4-[(2-chloro-4,5-dimethylphenoxy)carbonylamino]benzoate
CID 3368957
(2-amino-4-chloro-5-fluorophenyl) N-methylcarbamate
CID 164648951
1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylurea
CID 115168887
(2,5-dichloro-4-methylphenyl) carbamate
CID 175535955
(2-bromo-3,4-dimethylphenyl) N-methylcarbamate
CID 154109694
(2,4,5-trichlorophenyl) N-(2,4-dimethylphenyl)carbamate
CID 3311503
(4-methyl-2-propan-2-ylphenyl) N-methylcarbamate
CID 12953311
(2,4,5-trichlorophenyl) N-[(E)-2-[(2,4,5-trichlorophenoxy)carbonylamino]ethenyl]carbamate
CID 3033549

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethylphenyl) N-methylcarbamate;hydrochloride?
The IUPAC name of (2-chloro-4,5-dimethylphenyl) N-methylcarbamate;hydrochloride (CID 172729732) is (2-chloro-4,5-dimethylphenyl) N-methylcarbamate;hydrochloride.
What is the SMILES notation for (2-chloro-4,5-dimethylphenyl) N-methylcarbamate;hydrochloride?
The canonical SMILES for (2-chloro-4,5-dimethylphenyl) N-methylcarbamate;hydrochloride is CNC(=O)Oc1cc(C)c(C)cc1Cl.Cl.
What is the InChIKey of (2-chloro-4,5-dimethylphenyl) N-methylcarbamate;hydrochloride?
The InChIKey is HQAMKPDCIUFYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2.ClH/c1-6-4-8(11)9(5-7(6)2)14-10(13)12-3;/h4-5H,1-3H3,(H,12,13);1H.
What are the key properties of (2-chloro-4,5-dimethylphenyl) N-methylcarbamate;hydrochloride?
(2-chloro-4,5-dimethylphenyl) N-methylcarbamate;hydrochloride has a molecular weight of 250.12 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-dimethylphenyl) N-methylcarbamate;hydrochloride is sourced from PubChem (CID 172729732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).