2-chloro-N-[5-(6-chloro-2,2-difluoro-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide

C20H12Cl2F2N2O2 — CID 58487199

IUPAC2-chloro-N-[5-(6-chloro-2,2-difluoro-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)C3)cn1)c1ccccc1Cl
InChIInChI=1S/C20H12Cl2F2N2O2/c21-15-4-2-1-3-13(15)19(27)26-18-6-5-11(10-25-18)14-7-12-9-20(23,24)28-17(12)8-16(14)22/h1-8,10H,9H2,(H,25,26,27)
InChIKeyLHFABDNQQOLUMX-UHFFFAOYSA-N
MW421.23 g/mol
LogP5.84
Rot. Bonds3

About 2-chloro-N-[5-(6-chloro-2,2-difluoro-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide

2-chloro-N-[5-(6-chloro-2,2-difluoro-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide (PubChem CID 58487199) has the molecular formula C20H12Cl2F2N2O2 and a molecular weight of 421.23 g/mol. Its IUPAC name is 2-chloro-N-[5-(6-chloro-2,2-difluoro-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[5-(6-chloro-2,2-difluoro-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide
PubChem CID58487199
Molecular FormulaC20H12Cl2F2N2O2
Molecular Weight421.23 g/mol
Exact Mass420.02
IUPAC Name2-chloro-N-[5-(6-chloro-2,2-difluoro-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)C3)cn1)c1ccccc1Cl
InChIInChI=1S/C20H12Cl2F2N2O2/c21-15-4-2-1-3-13(15)19(27)26-18-6-5-11(10-25-18)14-7-12-9-20(23,24)28-17(12)8-16(14)22/h1-8,10H,9H2,(H,25,26,27)
InChIKeyLHFABDNQQOLUMX-UHFFFAOYSA-N
XLogP5.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.23
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(6-chloro-2,2-difluoro-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide?
The IUPAC name of 2-chloro-N-[5-(6-chloro-2,2-difluoro-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide (CID 58487199) is 2-chloro-N-[5-(6-chloro-2,2-difluoro-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-chloro-N-[5-(6-chloro-2,2-difluoro-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 2-chloro-N-[5-(6-chloro-2,2-difluoro-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide is O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)C3)cn1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[5-(6-chloro-2,2-difluoro-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide?
The InChIKey is LHFABDNQQOLUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2F2N2O2/c21-15-4-2-1-3-13(15)19(27)26-18-6-5-11(10-25-18)14-7-12-9-20(23,24)28-17(12)8-16(14)22/h1-8,10H,9H2,(H,25,26,27).
What are the key properties of 2-chloro-N-[5-(6-chloro-2,2-difluoro-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide?
2-chloro-N-[5-(6-chloro-2,2-difluoro-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide has a molecular weight of 421.23 g/mol, XLogP of 5.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(6-chloro-2,2-difluoro-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 58487199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).