N-(2-carbamoyl-6-fluoro-1-benzofuran-3-yl)-6-phenoxypyridine-3-carboxamide

C21H14FN3O4 — CID 11326763

IUPACN-(2-carbamoyl-6-fluoro-1-benzofuran-3-yl)-6-phenoxypyridine-3-carboxamide
SMILESNC(=O)c1oc2cc(F)ccc2c1NC(=O)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C21H14FN3O4/c22-13-7-8-15-16(10-13)29-19(20(23)26)18(15)25-21(27)12-6-9-17(24-11-12)28-14-4-2-1-3-5-14/h1-11H,(H2,23,26)(H,25,27)
InChIKeyMYYHNEYVSDUORB-UHFFFAOYSA-N
MW391.36 g/mol
LogP4.11
Rot. Bonds5

About N-(2-carbamoyl-6-fluoro-1-benzofuran-3-yl)-6-phenoxypyridine-3-carboxamide

N-(2-carbamoyl-6-fluoro-1-benzofuran-3-yl)-6-phenoxypyridine-3-carboxamide (PubChem CID 11326763) has the molecular formula C21H14FN3O4 and a molecular weight of 391.36 g/mol. Its IUPAC name is N-(2-carbamoyl-6-fluoro-1-benzofuran-3-yl)-6-phenoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoyl-6-fluoro-1-benzofuran-3-yl)-6-phenoxypyridine-3-carboxamide
PubChem CID11326763
Molecular FormulaC21H14FN3O4
Molecular Weight391.36 g/mol
Exact Mass391.10
IUPAC NameN-(2-carbamoyl-6-fluoro-1-benzofuran-3-yl)-6-phenoxypyridine-3-carboxamide
SMILESNC(=O)c1oc2cc(F)ccc2c1NC(=O)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C21H14FN3O4/c22-13-7-8-15-16(10-13)29-19(20(23)26)18(15)25-21(27)12-6-9-17(24-11-12)28-14-4-2-1-3-5-14/h1-11H,(H2,23,26)(H,25,27)
InChIKeyMYYHNEYVSDUORB-UHFFFAOYSA-N
XLogP4.11
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.36
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoyl-6-fluoro-1-benzofuran-3-yl)-6-phenoxypyridine-3-carboxamide?
The IUPAC name of N-(2-carbamoyl-6-fluoro-1-benzofuran-3-yl)-6-phenoxypyridine-3-carboxamide (CID 11326763) is N-(2-carbamoyl-6-fluoro-1-benzofuran-3-yl)-6-phenoxypyridine-3-carboxamide.
What is the SMILES notation for N-(2-carbamoyl-6-fluoro-1-benzofuran-3-yl)-6-phenoxypyridine-3-carboxamide?
The canonical SMILES for N-(2-carbamoyl-6-fluoro-1-benzofuran-3-yl)-6-phenoxypyridine-3-carboxamide is NC(=O)c1oc2cc(F)ccc2c1NC(=O)c1ccc(Oc2ccccc2)nc1.
What is the InChIKey of N-(2-carbamoyl-6-fluoro-1-benzofuran-3-yl)-6-phenoxypyridine-3-carboxamide?
The InChIKey is MYYHNEYVSDUORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3O4/c22-13-7-8-15-16(10-13)29-19(20(23)26)18(15)25-21(27)12-6-9-17(24-11-12)28-14-4-2-1-3-5-14/h1-11H,(H2,23,26)(H,25,27).
What are the key properties of N-(2-carbamoyl-6-fluoro-1-benzofuran-3-yl)-6-phenoxypyridine-3-carboxamide?
N-(2-carbamoyl-6-fluoro-1-benzofuran-3-yl)-6-phenoxypyridine-3-carboxamide has a molecular weight of 391.36 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoyl-6-fluoro-1-benzofuran-3-yl)-6-phenoxypyridine-3-carboxamide is sourced from PubChem (CID 11326763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).