methyl N-(3,4-dichlorophenyl)carbamate

C8H7Cl2NO2 — CID 15969

IUPACmethyl N-(3,4-dichlorophenyl)carbamate
SMILESCOC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H7Cl2NO2/c1-13-8(12)11-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H,11,12)
InChIKeyWOZQBERUBLYCEG-UHFFFAOYSA-N
MW220.06 g/mol
LogP3.17
Rot. Bonds1

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

methyl N-(3,4-dichlorophenyl)carbamate (PubChem CID 15969) has the molecular formula C8H7Cl2NO2 and a molecular weight of 220.06 g/mol. Its IUPAC name is methyl N-(3,4-dichlorophenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3,4-dichlorophenyl)carbamate
PubChem CID15969
Molecular FormulaC8H7Cl2NO2
Molecular Weight220.06 g/mol
Exact Mass218.99
IUPAC Namemethyl N-(3,4-dichlorophenyl)carbamate
SMILESCOC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H7Cl2NO2/c1-13-8(12)11-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H,11,12)
InChIKeyWOZQBERUBLYCEG-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Diuron
CID 3120
Propanil
CID 4933
Linuron
CID 9502
Barban
CID 7551
Chlorpropham
CID 2728
Urea, (3,4-dichlorophenyl)-
CID 16854
Monomethyldiuron
CID 19113
Isopropyl N-4-chlorophenylcarbamate
CID 16712
3,4-Dichloroacetanilide
CID 16530
Urea, N-(3,4-dichlorophenyl)-N'-hydroxy-
CID 97463
Chloranocryl
CID 16560
Carbamic acid, N-(4-chlorophenyl)-, ethyl ester
CID 17496

Frequently Asked Questions

What is the IUPAC name of methyl N-(3,4-dichlorophenyl)carbamate?
The IUPAC name of methyl N-(3,4-dichlorophenyl)carbamate (CID 15969) is methyl N-(3,4-dichlorophenyl)carbamate.
What is the SMILES notation for methyl N-(3,4-dichlorophenyl)carbamate?
The canonical SMILES for methyl N-(3,4-dichlorophenyl)carbamate is COC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of methyl N-(3,4-dichlorophenyl)carbamate?
The InChIKey is WOZQBERUBLYCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO2/c1-13-8(12)11-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H,11,12).
What are the key properties of methyl N-(3,4-dichlorophenyl)carbamate?
methyl N-(3,4-dichlorophenyl)carbamate has a molecular weight of 220.06 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3,4-dichlorophenyl)carbamate is sourced from PubChem (CID 15969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).