[4-[(3,5-dichloro-4-pyridinyl)oxy]phenyl] N-methyl-N-phenylcarbamate

C19H14Cl2N2O3 — CID 10150622

IUPAC[4-[(3,5-dichloro-4-pyridinyl)oxy]phenyl] N-methyl-N-phenylcarbamate
SMILESCN(C(=O)Oc1ccc(Oc2c(Cl)cncc2Cl)cc1)c1ccccc1
InChIInChI=1S/C19H14Cl2N2O3/c1-23(13-5-3-2-4-6-13)19(24)26-15-9-7-14(8-10-15)25-18-16(20)11-22-12-17(18)21/h2-12H,1H3
InChIKeyBZRVXOCJQXJASS-UHFFFAOYSA-N
MW389.24 g/mol
LogP5.82
Rot. Bonds4

About [4-[(3,5-dichloro-4-pyridinyl)oxy]phenyl] N-methyl-N-phenylcarbamate

[4-[(3,5-dichloro-4-pyridinyl)oxy]phenyl] N-methyl-N-phenylcarbamate (PubChem CID 10150622) has the molecular formula C19H14Cl2N2O3 and a molecular weight of 389.24 g/mol. Its IUPAC name is [4-[(3,5-dichloro-4-pyridinyl)oxy]phenyl] N-methyl-N-phenylcarbamate.

Molecular Properties

Compound Name[4-[(3,5-dichloro-4-pyridinyl)oxy]phenyl] N-methyl-N-phenylcarbamate
PubChem CID10150622
Molecular FormulaC19H14Cl2N2O3
Molecular Weight389.24 g/mol
Exact Mass388.04
IUPAC Name[4-[(3,5-dichloro-4-pyridinyl)oxy]phenyl] N-methyl-N-phenylcarbamate
SMILESCN(C(=O)Oc1ccc(Oc2c(Cl)cncc2Cl)cc1)c1ccccc1
InChIInChI=1S/C19H14Cl2N2O3/c1-23(13-5-3-2-4-6-13)19(24)26-15-9-7-14(8-10-15)25-18-16(20)11-22-12-17(18)21/h2-12H,1H3
InChIKeyBZRVXOCJQXJASS-UHFFFAOYSA-N
XLogP5.82
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.24
LogP ≤ 55.82
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-4-pyridinyl)oxy]phenyl] N-methyl-N-phenylcarbamate?
The IUPAC name of [4-[(3,5-dichloro-4-pyridinyl)oxy]phenyl] N-methyl-N-phenylcarbamate (CID 10150622) is [4-[(3,5-dichloro-4-pyridinyl)oxy]phenyl] N-methyl-N-phenylcarbamate.
What is the SMILES notation for [4-[(3,5-dichloro-4-pyridinyl)oxy]phenyl] N-methyl-N-phenylcarbamate?
The canonical SMILES for [4-[(3,5-dichloro-4-pyridinyl)oxy]phenyl] N-methyl-N-phenylcarbamate is CN(C(=O)Oc1ccc(Oc2c(Cl)cncc2Cl)cc1)c1ccccc1.
What is the InChIKey of [4-[(3,5-dichloro-4-pyridinyl)oxy]phenyl] N-methyl-N-phenylcarbamate?
The InChIKey is BZRVXOCJQXJASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O3/c1-23(13-5-3-2-4-6-13)19(24)26-15-9-7-14(8-10-15)25-18-16(20)11-22-12-17(18)21/h2-12H,1H3.
What are the key properties of [4-[(3,5-dichloro-4-pyridinyl)oxy]phenyl] N-methyl-N-phenylcarbamate?
[4-[(3,5-dichloro-4-pyridinyl)oxy]phenyl] N-methyl-N-phenylcarbamate has a molecular weight of 389.24 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dichloro-4-pyridinyl)oxy]phenyl] N-methyl-N-phenylcarbamate is sourced from PubChem (CID 10150622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).