N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[3-(2-oxooxolan-3-yl)sulfanylpropoxy]benzamide

C20H18Cl2F2N2O5S — CID 71262640

IUPACN-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[3-(2-oxooxolan-3-yl)sulfanylpropoxy]benzamide
SMILESO=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCCCSC2CCOC2=O)c1
InChIInChI=1S/C20H18Cl2F2N2O5S/c21-12-9-25-10-13(22)17(12)26-18(27)11-2-3-14(31-20(23)24)15(8-11)29-5-1-7-32-16-4-6-30-19(16)28/h2-3,8-10,16,20H,1,4-7H2,(H,25,26,27)
InChIKeyDHNXZPUYXNQSME-UHFFFAOYSA-N
MW507.34 g/mol
LogP5.06
Rot. Bonds10

About N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[3-(2-oxooxolan-3-yl)sulfanylpropoxy]benzamide

N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[3-(2-oxooxolan-3-yl)sulfanylpropoxy]benzamide (PubChem CID 71262640) has the molecular formula C20H18Cl2F2N2O5S and a molecular weight of 507.34 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[3-(2-oxooxolan-3-yl)sulfanylpropoxy]benzamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[3-(2-oxooxolan-3-yl)sulfanylpropoxy]benzamide
PubChem CID71262640
Molecular FormulaC20H18Cl2F2N2O5S
Molecular Weight507.34 g/mol
Exact Mass506.03
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[3-(2-oxooxolan-3-yl)sulfanylpropoxy]benzamide
SMILESO=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCCCSC2CCOC2=O)c1
InChIInChI=1S/C20H18Cl2F2N2O5S/c21-12-9-25-10-13(22)17(12)26-18(27)11-2-3-14(31-20(23)24)15(8-11)29-5-1-7-32-16-4-6-30-19(16)28/h2-3,8-10,16,20H,1,4-7H2,(H,25,26,27)
InChIKeyDHNXZPUYXNQSME-UHFFFAOYSA-N
XLogP5.06
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.34
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[3-(2-oxooxolan-3-yl)sulfanylpropoxy]benzamide 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 N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[3-(2-oxooxolan-3-yl)sulfanylpropoxy]benzamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[3-(2-oxooxolan-3-yl)sulfanylpropoxy]benzamide (CID 71262640) is N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[3-(2-oxooxolan-3-yl)sulfanylpropoxy]benzamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[3-(2-oxooxolan-3-yl)sulfanylpropoxy]benzamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[3-(2-oxooxolan-3-yl)sulfanylpropoxy]benzamide is O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCCCSC2CCOC2=O)c1.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[3-(2-oxooxolan-3-yl)sulfanylpropoxy]benzamide?
The InChIKey is DHNXZPUYXNQSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2F2N2O5S/c21-12-9-25-10-13(22)17(12)26-18(27)11-2-3-14(31-20(23)24)15(8-11)29-5-1-7-32-16-4-6-30-19(16)28/h2-3,8-10,16,20H,1,4-7H2,(H,25,26,27).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[3-(2-oxooxolan-3-yl)sulfanylpropoxy]benzamide?
N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[3-(2-oxooxolan-3-yl)sulfanylpropoxy]benzamide has a molecular weight of 507.34 g/mol, XLogP of 5.06, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-[3-(2-oxooxolan-3-yl)sulfanylpropoxy]benzamide is sourced from PubChem (CID 71262640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).