N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]-2-fluorobenzamide

C20H14ClFN2O2 — CID 58486713

IUPACN-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(-c2cc3c(cc2Cl)CCO3)cn1)c1ccccc1F
InChIInChI=1S/C20H14ClFN2O2/c21-16-9-12-7-8-26-18(12)10-15(16)13-5-6-19(23-11-13)24-20(25)14-3-1-2-4-17(14)22/h1-6,9-11H,7-8H2,(H,23,24,25)
InChIKeyURTOPCMTHSHRBA-UHFFFAOYSA-N
MW368.80 g/mol
LogP4.73
Rot. Bonds3

About N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]-2-fluorobenzamide

N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]-2-fluorobenzamide (PubChem CID 58486713) has the molecular formula C20H14ClFN2O2 and a molecular weight of 368.80 g/mol. Its IUPAC name is N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]-2-fluorobenzamide
PubChem CID58486713
Molecular FormulaC20H14ClFN2O2
Molecular Weight368.80 g/mol
Exact Mass368.07
IUPAC NameN-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(-c2cc3c(cc2Cl)CCO3)cn1)c1ccccc1F
InChIInChI=1S/C20H14ClFN2O2/c21-16-9-12-7-8-26-18(12)10-15(16)13-5-6-19(23-11-13)24-20(25)14-3-1-2-4-17(14)22/h1-6,9-11H,7-8H2,(H,23,24,25)
InChIKeyURTOPCMTHSHRBA-UHFFFAOYSA-N
XLogP4.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.80
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]-2-fluorobenzamide?
The IUPAC name of N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]-2-fluorobenzamide (CID 58486713) is N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]-2-fluorobenzamide is O=C(Nc1ccc(-c2cc3c(cc2Cl)CCO3)cn1)c1ccccc1F.
What is the InChIKey of N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]-2-fluorobenzamide?
The InChIKey is URTOPCMTHSHRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN2O2/c21-16-9-12-7-8-26-18(12)10-15(16)13-5-6-19(23-11-13)24-20(25)14-3-1-2-4-17(14)22/h1-6,9-11H,7-8H2,(H,23,24,25).
What are the key properties of N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]-2-fluorobenzamide?
N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]-2-fluorobenzamide has a molecular weight of 368.80 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 58486713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).