(3,4-dichlorophenyl)methyl N-methylcarbamate

C9H9Cl2NO2 — CID 16072

IUPAC(3,4-dichlorophenyl)methyl N-methylcarbamate
SMILESCNC(=O)OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H9Cl2NO2/c1-12-9(13)14-5-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3,(H,12,13)
InChIKeyDSVOTYIOPGIVPP-UHFFFAOYSA-N
MW234.08 g/mol
LogP2.85
Rot. Bonds2

About (3,4-dichlorophenyl)methyl N-methylcarbamate

(3,4-dichlorophenyl)methyl N-methylcarbamate (PubChem CID 16072) has the molecular formula C9H9Cl2NO2 and a molecular weight of 234.08 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyl N-methylcarbamate.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyl N-methylcarbamate
PubChem CID16072
Molecular FormulaC9H9Cl2NO2
Molecular Weight234.08 g/mol
Exact Mass233.00
IUPAC Name(3,4-dichlorophenyl)methyl N-methylcarbamate
SMILESCNC(=O)OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H9Cl2NO2/c1-12-9(13)14-5-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3,(H,12,13)
InChIKeyDSVOTYIOPGIVPP-UHFFFAOYSA-N
XLogP2.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.08
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyl N-methylcarbamate?
The IUPAC name of (3,4-dichlorophenyl)methyl N-methylcarbamate (CID 16072) is (3,4-dichlorophenyl)methyl N-methylcarbamate.
What is the SMILES notation for (3,4-dichlorophenyl)methyl N-methylcarbamate?
The canonical SMILES for (3,4-dichlorophenyl)methyl N-methylcarbamate is CNC(=O)OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)methyl N-methylcarbamate?
The InChIKey is DSVOTYIOPGIVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2/c1-12-9(13)14-5-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of (3,4-dichlorophenyl)methyl N-methylcarbamate?
(3,4-dichlorophenyl)methyl N-methylcarbamate has a molecular weight of 234.08 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methyl N-methylcarbamate is sourced from PubChem (CID 16072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).