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

C21H15ClF2N2O2 — CID 58486974

IUPAC2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide
SMILESCc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3Cl)nc1)CC(F)(F)O2
InChIInChI=1S/C21H15ClF2N2O2/c1-12-8-18-14(10-21(23,24)28-18)9-16(12)13-6-7-19(25-11-13)26-20(27)15-4-2-3-5-17(15)22/h2-9,11H,10H2,1H3,(H,25,26,27)
InChIKeyVOTPGORLFCLYLH-UHFFFAOYSA-N
MW400.81 g/mol
LogP5.49
Rot. Bonds3

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

2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide (PubChem CID 58486974) has the molecular formula C21H15ClF2N2O2 and a molecular weight of 400.81 g/mol. Its IUPAC name is 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide
PubChem CID58486974
Molecular FormulaC21H15ClF2N2O2
Molecular Weight400.81 g/mol
Exact Mass400.08
IUPAC Name2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide
SMILESCc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3Cl)nc1)CC(F)(F)O2
InChIInChI=1S/C21H15ClF2N2O2/c1-12-8-18-14(10-21(23,24)28-18)9-16(12)13-6-7-19(25-11-13)26-20(27)15-4-2-3-5-17(15)22/h2-9,11H,10H2,1H3,(H,25,26,27)
InChIKeyVOTPGORLFCLYLH-UHFFFAOYSA-N
XLogP5.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.81
LogP ≤ 55.49
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-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide?
The IUPAC name of 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide (CID 58486974) is 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide is Cc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3Cl)nc1)CC(F)(F)O2.
What is the InChIKey of 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide?
The InChIKey is VOTPGORLFCLYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF2N2O2/c1-12-8-18-14(10-21(23,24)28-18)9-16(12)13-6-7-19(25-11-13)26-20(27)15-4-2-3-5-17(15)22/h2-9,11H,10H2,1H3,(H,25,26,27).
What are the key properties of 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide?
2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide has a molecular weight of 400.81 g/mol, XLogP of 5.49, 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-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 58486974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).