[4-[(5-chloro-2-pyridinyl)oxy]phenyl] N-methyl-N-phenylcarbamate

C19H15ClN2O3 — CID 23635399

IUPAC[4-[(5-chloro-2-pyridinyl)oxy]phenyl] N-methyl-N-phenylcarbamate
SMILESCN(C(=O)Oc1ccc(Oc2ccc(Cl)cn2)cc1)c1ccccc1
InChIInChI=1S/C19H15ClN2O3/c1-22(15-5-3-2-4-6-15)19(23)25-17-10-8-16(9-11-17)24-18-12-7-14(20)13-21-18/h2-13H,1H3
InChIKeyJJDGQGUSOSXPGM-UHFFFAOYSA-N
MW354.79 g/mol
LogP5.16
Rot. Bonds4

About [4-[(5-chloro-2-pyridinyl)oxy]phenyl] N-methyl-N-phenylcarbamate

[4-[(5-chloro-2-pyridinyl)oxy]phenyl] N-methyl-N-phenylcarbamate (PubChem CID 23635399) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is [4-[(5-chloro-2-pyridinyl)oxy]phenyl] N-methyl-N-phenylcarbamate.

Molecular Properties

Compound Name[4-[(5-chloro-2-pyridinyl)oxy]phenyl] N-methyl-N-phenylcarbamate
PubChem CID23635399
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC Name[4-[(5-chloro-2-pyridinyl)oxy]phenyl] N-methyl-N-phenylcarbamate
SMILESCN(C(=O)Oc1ccc(Oc2ccc(Cl)cn2)cc1)c1ccccc1
InChIInChI=1S/C19H15ClN2O3/c1-22(15-5-3-2-4-6-15)19(23)25-17-10-8-16(9-11-17)24-18-12-7-14(20)13-21-18/h2-13H,1H3
InChIKeyJJDGQGUSOSXPGM-UHFFFAOYSA-N
XLogP5.16
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.79
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[(5-chloro-2-pyridinyl)oxy]phenyl] N-methyl-N-phenylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[(5-chloro-2-pyridinyl)oxy]phenyl] N-methyl-N-phenylcarbamate?
The IUPAC name of [4-[(5-chloro-2-pyridinyl)oxy]phenyl] N-methyl-N-phenylcarbamate (CID 23635399) is [4-[(5-chloro-2-pyridinyl)oxy]phenyl] N-methyl-N-phenylcarbamate.
What is the SMILES notation for [4-[(5-chloro-2-pyridinyl)oxy]phenyl] N-methyl-N-phenylcarbamate?
The canonical SMILES for [4-[(5-chloro-2-pyridinyl)oxy]phenyl] N-methyl-N-phenylcarbamate is CN(C(=O)Oc1ccc(Oc2ccc(Cl)cn2)cc1)c1ccccc1.
What is the InChIKey of [4-[(5-chloro-2-pyridinyl)oxy]phenyl] N-methyl-N-phenylcarbamate?
The InChIKey is JJDGQGUSOSXPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c1-22(15-5-3-2-4-6-15)19(23)25-17-10-8-16(9-11-17)24-18-12-7-14(20)13-21-18/h2-13H,1H3.
What are the key properties of [4-[(5-chloro-2-pyridinyl)oxy]phenyl] N-methyl-N-phenylcarbamate?
[4-[(5-chloro-2-pyridinyl)oxy]phenyl] N-methyl-N-phenylcarbamate has a molecular weight of 354.79 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-chloro-2-pyridinyl)oxy]phenyl] N-methyl-N-phenylcarbamate is sourced from PubChem (CID 23635399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).