N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

C21H21FN2O3 — CID 55800624

IUPACN-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccc(OC3CCCC3)nc2)oc2ccc(F)cc12
InChIInChI=1S/C21H21FN2O3/c1-13-17-10-15(22)7-8-18(17)27-20(13)21(25)24-12-14-6-9-19(23-11-14)26-16-4-2-3-5-16/h6-11,16H,2-5,12H2,1H3,(H,24,25)
InChIKeyKHXXLELKIMJJFO-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.53
Rot. Bonds5

About N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 55800624) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID55800624
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC NameN-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccc(OC3CCCC3)nc2)oc2ccc(F)cc12
InChIInChI=1S/C21H21FN2O3/c1-13-17-10-15(22)7-8-18(17)27-20(13)21(25)24-12-14-6-9-19(23-11-14)26-16-4-2-3-5-16/h6-11,16H,2-5,12H2,1H3,(H,24,25)
InChIKeyKHXXLELKIMJJFO-UHFFFAOYSA-N
XLogP4.53
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (CID 55800624) is N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCc2ccc(OC3CCCC3)nc2)oc2ccc(F)cc12.
What is the InChIKey of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is KHXXLELKIMJJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-13-17-10-15(22)7-8-18(17)27-20(13)21(25)24-12-14-6-9-19(23-11-14)26-16-4-2-3-5-16/h6-11,16H,2-5,12H2,1H3,(H,24,25).
What are the key properties of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55800624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).