[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] N,N-dimethylcarbamate

C14H12Cl2N2O3 — CID 23635398

IUPAC[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H12Cl2N2O3/c1-18(2)14(19)21-11-5-3-10(4-6-11)20-13-12(16)7-9(15)8-17-13/h3-8H,1-2H3
InChIKeyMVRFMYSPMZAEMT-UHFFFAOYSA-N
MW327.17 g/mol
LogP4.24
Rot. Bonds3

About [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] N,N-dimethylcarbamate

[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] N,N-dimethylcarbamate (PubChem CID 23635398) has the molecular formula C14H12Cl2N2O3 and a molecular weight of 327.17 g/mol. Its IUPAC name is [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] N,N-dimethylcarbamate
PubChem CID23635398
Molecular FormulaC14H12Cl2N2O3
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H12Cl2N2O3/c1-18(2)14(19)21-11-5-3-10(4-6-11)20-13-12(16)7-9(15)8-17-13/h3-8H,1-2H3
InChIKeyMVRFMYSPMZAEMT-UHFFFAOYSA-N
XLogP4.24
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] N,N-dimethylcarbamate?
The IUPAC name of [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] N,N-dimethylcarbamate (CID 23635398) is [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1.
What is the InChIKey of [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] N,N-dimethylcarbamate?
The InChIKey is MVRFMYSPMZAEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3/c1-18(2)14(19)21-11-5-3-10(4-6-11)20-13-12(16)7-9(15)8-17-13/h3-8H,1-2H3.
What are the key properties of [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] N,N-dimethylcarbamate?
[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] N,N-dimethylcarbamate has a molecular weight of 327.17 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 23635398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).