[2-(2,3-dichloropropyl)phenyl] N-methylcarbamate

C11H13Cl2NO2 — CID 54093839

IUPAC[2-(2,3-dichloropropyl)phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1ccccc1CC(Cl)CCl
InChIInChI=1S/C11H13Cl2NO2/c1-14-11(15)16-10-5-3-2-4-8(10)6-9(13)7-12/h2-5,9H,6-7H2,1H3,(H,14,15)
InChIKeyMVSDZOOAOMEWNH-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.79
Rot. Bonds4

About [2-(2,3-dichloropropyl)phenyl] N-methylcarbamate

[2-(2,3-dichloropropyl)phenyl] N-methylcarbamate (PubChem CID 54093839) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is [2-(2,3-dichloropropyl)phenyl] N-methylcarbamate.

Molecular Properties

Compound Name[2-(2,3-dichloropropyl)phenyl] N-methylcarbamate
PubChem CID54093839
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name[2-(2,3-dichloropropyl)phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1ccccc1CC(Cl)CCl
InChIInChI=1S/C11H13Cl2NO2/c1-14-11(15)16-10-5-3-2-4-8(10)6-9(13)7-12/h2-5,9H,6-7H2,1H3,(H,14,15)
InChIKeyMVSDZOOAOMEWNH-UHFFFAOYSA-N
XLogP2.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[2-(methylcarbamoyloxy)phenyl]methyl benzoate
CID 54157847
[2-(butylsulfanylmethyl)phenyl] N-methylcarbamate
CID 13434047
naphthalen-1-yl N-methylcarbamate
CID 23447097
[2-(2,2-dichloroethyl)phenyl] hydrogen carbonate
CID 66742586
(2-methylphenyl) 3,4-dichlorobutanoate
CID 175207800
[2-(chloromethyl)phenyl] N-ethylcarbamate
CID 175051095
(2,3-dichlorophenyl) N-methylcarbamate;hydrochloride
CID 141106897
(2-butan-2-ylphenyl) N-methylcarbamate
CID 19588
[2-[[methyl-[(2-methylphenyl)carbamoyl]amino]methyl]phenyl] N-methylcarbamate
CID 141249024
[2-chloro-3-(2-ethoxycarbonyloxyphenyl)propyl] acetate
CID 10494485
[2-(furan-2-ylmethoxymethyl)phenyl] N-methylcarbamate
CID 54506260
[2-(1-chloroicosyl)phenyl] N-methylcarbamate
CID 54095780

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichloropropyl)phenyl] N-methylcarbamate?
The IUPAC name of [2-(2,3-dichloropropyl)phenyl] N-methylcarbamate (CID 54093839) is [2-(2,3-dichloropropyl)phenyl] N-methylcarbamate.
What is the SMILES notation for [2-(2,3-dichloropropyl)phenyl] N-methylcarbamate?
The canonical SMILES for [2-(2,3-dichloropropyl)phenyl] N-methylcarbamate is CNC(=O)Oc1ccccc1CC(Cl)CCl.
What is the InChIKey of [2-(2,3-dichloropropyl)phenyl] N-methylcarbamate?
The InChIKey is MVSDZOOAOMEWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-14-11(15)16-10-5-3-2-4-8(10)6-9(13)7-12/h2-5,9H,6-7H2,1H3,(H,14,15).
What are the key properties of [2-(2,3-dichloropropyl)phenyl] N-methylcarbamate?
[2-(2,3-dichloropropyl)phenyl] N-methylcarbamate has a molecular weight of 262.14 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichloropropyl)phenyl] N-methylcarbamate is sourced from PubChem (CID 54093839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).