1,3-dichloro-2-(2,6-dichlorophenoxy)benzene;N-(2-hydroxyethyl)pyridine-3-carboxamide

C20H16Cl4N2O3 — CID 70416673

IUPAC1,3-dichloro-2-(2,6-dichlorophenoxy)benzene;N-(2-hydroxyethyl)pyridine-3-carboxamide
SMILESClc1cccc(Cl)c1Oc1c(Cl)cccc1Cl.O=C(NCCO)c1cccnc1
InChIInChI=1S/C12H6Cl4O.C8H10N2O2/c13-7-3-1-4-8(14)11(7)17-12-9(15)5-2-6-10(12)16;11-5-4-10-8(12)7-2-1-3-9-6-7/h1-6H;1-3,6,11H,4-5H2,(H,10,12)
InChIKeyDMVRIUTUHOVGPQ-UHFFFAOYSA-N
MW474.17 g/mol
LogP5.90
Rot. Bonds5

About 1,3-dichloro-2-(2,6-dichlorophenoxy)benzene;N-(2-hydroxyethyl)pyridine-3-carboxamide

1,3-dichloro-2-(2,6-dichlorophenoxy)benzene;N-(2-hydroxyethyl)pyridine-3-carboxamide (PubChem CID 70416673) has the molecular formula C20H16Cl4N2O3 and a molecular weight of 474.17 g/mol. Its IUPAC name is 1,3-dichloro-2-(2,6-dichlorophenoxy)benzene;N-(2-hydroxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1,3-dichloro-2-(2,6-dichlorophenoxy)benzene;N-(2-hydroxyethyl)pyridine-3-carboxamide
PubChem CID70416673
Molecular FormulaC20H16Cl4N2O3
Molecular Weight474.17 g/mol
Exact Mass471.99
IUPAC Name1,3-dichloro-2-(2,6-dichlorophenoxy)benzene;N-(2-hydroxyethyl)pyridine-3-carboxamide
SMILESClc1cccc(Cl)c1Oc1c(Cl)cccc1Cl.O=C(NCCO)c1cccnc1
InChIInChI=1S/C12H6Cl4O.C8H10N2O2/c13-7-3-1-4-8(14)11(7)17-12-9(15)5-2-6-10(12)16;11-5-4-10-8(12)7-2-1-3-9-6-7/h1-6H;1-3,6,11H,4-5H2,(H,10,12)
InChIKeyDMVRIUTUHOVGPQ-UHFFFAOYSA-N
XLogP5.90
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.17
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-[2-(3-chlorophenoxy)ethyl]pyridine-3-carboxamide
CID 113099430
N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 17472910
N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide
CID 110705421
N-pent-4-ynylpyridine-3-carboxamide
CID 103709101
6-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]pyridine-2-carboxamide
CID 39022305
N-(3-sulfanylpropyl)pyridine-3-carboxamide;1,3,5-trichloro-2-(2,4,6-trichlorophenyl)sulfanyloxysulfanylbenzene
CID 88649285
N-[2-(N-acetyl-2-chloroanilino)ethyl]pyridine-3-carboxamide
CID 113059444
N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 91045435
N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 108924536
N-[2-[[N'-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]carbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 109464429

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-(2,6-dichlorophenoxy)benzene;N-(2-hydroxyethyl)pyridine-3-carboxamide?
The IUPAC name of 1,3-dichloro-2-(2,6-dichlorophenoxy)benzene;N-(2-hydroxyethyl)pyridine-3-carboxamide (CID 70416673) is 1,3-dichloro-2-(2,6-dichlorophenoxy)benzene;N-(2-hydroxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1,3-dichloro-2-(2,6-dichlorophenoxy)benzene;N-(2-hydroxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 1,3-dichloro-2-(2,6-dichlorophenoxy)benzene;N-(2-hydroxyethyl)pyridine-3-carboxamide is Clc1cccc(Cl)c1Oc1c(Cl)cccc1Cl.O=C(NCCO)c1cccnc1.
What is the InChIKey of 1,3-dichloro-2-(2,6-dichlorophenoxy)benzene;N-(2-hydroxyethyl)pyridine-3-carboxamide?
The InChIKey is DMVRIUTUHOVGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl4O.C8H10N2O2/c13-7-3-1-4-8(14)11(7)17-12-9(15)5-2-6-10(12)16;11-5-4-10-8(12)7-2-1-3-9-6-7/h1-6H;1-3,6,11H,4-5H2,(H,10,12).
What are the key properties of 1,3-dichloro-2-(2,6-dichlorophenoxy)benzene;N-(2-hydroxyethyl)pyridine-3-carboxamide?
1,3-dichloro-2-(2,6-dichlorophenoxy)benzene;N-(2-hydroxyethyl)pyridine-3-carboxamide has a molecular weight of 474.17 g/mol, XLogP of 5.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-(2,6-dichlorophenoxy)benzene;N-(2-hydroxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 70416673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).