phenyl N-(2,4-dichlorophenyl)carbamate

C13H9Cl2NO2 — CID 5098721

IUPACphenyl N-(2,4-dichlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1Cl)Oc1ccccc1
InChIInChI=1S/C13H9Cl2NO2/c14-9-6-7-12(11(15)8-9)16-13(17)18-10-4-2-1-3-5-10/h1-8H,(H,16,17)
InChIKeyJYUGPEZWUUTBNN-UHFFFAOYSA-N
MW282.13 g/mol
LogP4.60
Rot. Bonds2

About phenyl N-(2,4-dichlorophenyl)carbamate

phenyl N-(2,4-dichlorophenyl)carbamate (PubChem CID 5098721) has the molecular formula C13H9Cl2NO2 and a molecular weight of 282.13 g/mol. Its IUPAC name is phenyl N-(2,4-dichlorophenyl)carbamate.

Molecular Properties

Compound Namephenyl N-(2,4-dichlorophenyl)carbamate
PubChem CID5098721
Molecular FormulaC13H9Cl2NO2
Molecular Weight282.13 g/mol
Exact Mass281.00
IUPAC Namephenyl N-(2,4-dichlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1Cl)Oc1ccccc1
InChIInChI=1S/C13H9Cl2NO2/c14-9-6-7-12(11(15)8-9)16-13(17)18-10-4-2-1-3-5-10/h1-8H,(H,16,17)
InChIKeyJYUGPEZWUUTBNN-UHFFFAOYSA-N
XLogP4.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(2,4-dichlorophenyl)carbamate?
The IUPAC name of phenyl N-(2,4-dichlorophenyl)carbamate (CID 5098721) is phenyl N-(2,4-dichlorophenyl)carbamate.
What is the SMILES notation for phenyl N-(2,4-dichlorophenyl)carbamate?
The canonical SMILES for phenyl N-(2,4-dichlorophenyl)carbamate is O=C(Nc1ccc(Cl)cc1Cl)Oc1ccccc1.
What is the InChIKey of phenyl N-(2,4-dichlorophenyl)carbamate?
The InChIKey is JYUGPEZWUUTBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO2/c14-9-6-7-12(11(15)8-9)16-13(17)18-10-4-2-1-3-5-10/h1-8H,(H,16,17).
What are the key properties of phenyl N-(2,4-dichlorophenyl)carbamate?
phenyl N-(2,4-dichlorophenyl)carbamate has a molecular weight of 282.13 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(2,4-dichlorophenyl)carbamate is sourced from PubChem (CID 5098721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).