2,3-dichloro-N-[[4,4-difluoro-1-(6-methoxy-3-pyridinyl)cyclohexyl]methyl]benzamide

C20H20Cl2F2N2O2 — CID 86716277

IUPAC2,3-dichloro-N-[[4,4-difluoro-1-(6-methoxy-3-pyridinyl)cyclohexyl]methyl]benzamide
SMILESCOc1ccc(C2(CNC(=O)c3cccc(Cl)c3Cl)CCC(F)(F)CC2)cn1
InChIInChI=1S/C20H20Cl2F2N2O2/c1-28-16-6-5-13(11-25-16)19(7-9-20(23,24)10-8-19)12-26-18(27)14-3-2-4-15(21)17(14)22/h2-6,11H,7-10,12H2,1H3,(H,26,27)
InChIKeyKQXQMXLYWFOMLN-UHFFFAOYSA-N
MW429.29 g/mol
LogP5.27
Rot. Bonds5

About 2,3-dichloro-N-[[4,4-difluoro-1-(6-methoxy-3-pyridinyl)cyclohexyl]methyl]benzamide

2,3-dichloro-N-[[4,4-difluoro-1-(6-methoxy-3-pyridinyl)cyclohexyl]methyl]benzamide (PubChem CID 86716277) has the molecular formula C20H20Cl2F2N2O2 and a molecular weight of 429.29 g/mol. Its IUPAC name is 2,3-dichloro-N-[[4,4-difluoro-1-(6-methoxy-3-pyridinyl)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[[4,4-difluoro-1-(6-methoxy-3-pyridinyl)cyclohexyl]methyl]benzamide
PubChem CID86716277
Molecular FormulaC20H20Cl2F2N2O2
Molecular Weight429.29 g/mol
Exact Mass428.09
IUPAC Name2,3-dichloro-N-[[4,4-difluoro-1-(6-methoxy-3-pyridinyl)cyclohexyl]methyl]benzamide
SMILESCOc1ccc(C2(CNC(=O)c3cccc(Cl)c3Cl)CCC(F)(F)CC2)cn1
InChIInChI=1S/C20H20Cl2F2N2O2/c1-28-16-6-5-13(11-25-16)19(7-9-20(23,24)10-8-19)12-26-18(27)14-3-2-4-15(21)17(14)22/h2-6,11H,7-10,12H2,1H3,(H,26,27)
InChIKeyKQXQMXLYWFOMLN-UHFFFAOYSA-N
XLogP5.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.29
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[[4,4-difluoro-1-(6-methoxy-3-pyridinyl)cyclohexyl]methyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[[4,4-difluoro-1-(6-methoxy-3-pyridinyl)cyclohexyl]methyl]benzamide (CID 86716277) is 2,3-dichloro-N-[[4,4-difluoro-1-(6-methoxy-3-pyridinyl)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[[4,4-difluoro-1-(6-methoxy-3-pyridinyl)cyclohexyl]methyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[[4,4-difluoro-1-(6-methoxy-3-pyridinyl)cyclohexyl]methyl]benzamide is COc1ccc(C2(CNC(=O)c3cccc(Cl)c3Cl)CCC(F)(F)CC2)cn1.
What is the InChIKey of 2,3-dichloro-N-[[4,4-difluoro-1-(6-methoxy-3-pyridinyl)cyclohexyl]methyl]benzamide?
The InChIKey is KQXQMXLYWFOMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2F2N2O2/c1-28-16-6-5-13(11-25-16)19(7-9-20(23,24)10-8-19)12-26-18(27)14-3-2-4-15(21)17(14)22/h2-6,11H,7-10,12H2,1H3,(H,26,27).
What are the key properties of 2,3-dichloro-N-[[4,4-difluoro-1-(6-methoxy-3-pyridinyl)cyclohexyl]methyl]benzamide?
2,3-dichloro-N-[[4,4-difluoro-1-(6-methoxy-3-pyridinyl)cyclohexyl]methyl]benzamide has a molecular weight of 429.29 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[[4,4-difluoro-1-(6-methoxy-3-pyridinyl)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 86716277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).