(2,4-dichlorophenyl) N-methylcarbamate

C8H7Cl2NO2 — CID 5060893

IUPAC(2,4-dichlorophenyl) N-methylcarbamate
SMILESCNC(=O)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H7Cl2NO2/c1-11-8(12)13-7-3-2-5(9)4-6(7)10/h2-4H,1H3,(H,11,12)
InChIKeyQPXYEFQTSZQARV-UHFFFAOYSA-N
MW220.06 g/mol
LogP2.71
Rot. Bonds1

About (2,4-dichlorophenyl) N-methylcarbamate

(2,4-dichlorophenyl) N-methylcarbamate (PubChem CID 5060893) has the molecular formula C8H7Cl2NO2 and a molecular weight of 220.06 g/mol. Its IUPAC name is (2,4-dichlorophenyl) N-methylcarbamate.

Molecular Properties

Compound Name(2,4-dichlorophenyl) N-methylcarbamate
PubChem CID5060893
Molecular FormulaC8H7Cl2NO2
Molecular Weight220.06 g/mol
Exact Mass218.99
IUPAC Name(2,4-dichlorophenyl) N-methylcarbamate
SMILESCNC(=O)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H7Cl2NO2/c1-11-8(12)13-7-3-2-5(9)4-6(7)10/h2-4H,1H3,(H,11,12)
InChIKeyQPXYEFQTSZQARV-UHFFFAOYSA-N
XLogP2.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.06
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl) N-methylcarbamate?
The IUPAC name of (2,4-dichlorophenyl) N-methylcarbamate (CID 5060893) is (2,4-dichlorophenyl) N-methylcarbamate.
What is the SMILES notation for (2,4-dichlorophenyl) N-methylcarbamate?
The canonical SMILES for (2,4-dichlorophenyl) N-methylcarbamate is CNC(=O)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl) N-methylcarbamate?
The InChIKey is QPXYEFQTSZQARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO2/c1-11-8(12)13-7-3-2-5(9)4-6(7)10/h2-4H,1H3,(H,11,12).
What are the key properties of (2,4-dichlorophenyl) N-methylcarbamate?
(2,4-dichlorophenyl) N-methylcarbamate has a molecular weight of 220.06 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl) N-methylcarbamate is sourced from PubChem (CID 5060893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).