N-(4-cyclobutyloxy-3-fluorophenyl)-6-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxamide

C20H16FN5O3 — CID 169234908

IUPACN-(4-cyclobutyloxy-3-fluorophenyl)-6-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxamide
SMILESO=C(Nc1ccc(OC2CCC2)c(F)c1)c1coc2cc(-c3nn[nH]n3)ccc12
InChIInChI=1S/C20H16FN5O3/c21-16-9-12(5-7-17(16)29-13-2-1-3-13)22-20(27)15-10-28-18-8-11(4-6-14(15)18)19-23-25-26-24-19/h4-10,13H,1-3H2,(H,22,27)(H,23,24,25,26)
InChIKeyJWWPWJYZYFEJIC-UHFFFAOYSA-N
MW393.38 g/mol
LogP3.94
Rot. Bonds5

About N-(4-cyclobutyloxy-3-fluorophenyl)-6-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxamide

N-(4-cyclobutyloxy-3-fluorophenyl)-6-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxamide (PubChem CID 169234908) has the molecular formula C20H16FN5O3 and a molecular weight of 393.38 g/mol. Its IUPAC name is N-(4-cyclobutyloxy-3-fluorophenyl)-6-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyclobutyloxy-3-fluorophenyl)-6-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxamide
PubChem CID169234908
Molecular FormulaC20H16FN5O3
Molecular Weight393.38 g/mol
Exact Mass393.12
IUPAC NameN-(4-cyclobutyloxy-3-fluorophenyl)-6-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxamide
SMILESO=C(Nc1ccc(OC2CCC2)c(F)c1)c1coc2cc(-c3nn[nH]n3)ccc12
InChIInChI=1S/C20H16FN5O3/c21-16-9-12(5-7-17(16)29-13-2-1-3-13)22-20(27)15-10-28-18-8-11(4-6-14(15)18)19-23-25-26-24-19/h4-10,13H,1-3H2,(H,22,27)(H,23,24,25,26)
InChIKeyJWWPWJYZYFEJIC-UHFFFAOYSA-N
XLogP3.94
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-5-fluoro-6-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxamide
CID 170284549
N-[4-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]-5-fluoro-6-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxamide
CID 170284590
N-(4-cyclobutyloxy-3-fluorophenyl)-2-(prop-2-enoylamino)benzamide
CID 166420649
5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120689111
5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822444
1-(4-cyclobutyloxy-3-fluorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 122145730
2-amino-N-(4-cyclobutyloxy-3-fluorophenyl)-2-methylpentanamide
CID 119811156
dimethyl (E)-2-(4-cyclopentyloxy-3-fluoroanilino)but-2-enedioate
CID 168568895
N-(4-cyclobutyloxy-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 119940156
N-(4-cyclopentyloxy-3-fluorophenyl)pyrrolidine-2-carboxamide
CID 119336640
7-amino-N-(4-cyclobutyloxy-3-fluorophenyl)heptanamide;hydrochloride
CID 119811101
7-amino-N-(4-cyclopentyloxy-3-fluorophenyl)heptanamide
CID 119806500

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclobutyloxy-3-fluorophenyl)-6-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxamide?
The IUPAC name of N-(4-cyclobutyloxy-3-fluorophenyl)-6-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxamide (CID 169234908) is N-(4-cyclobutyloxy-3-fluorophenyl)-6-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(4-cyclobutyloxy-3-fluorophenyl)-6-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(4-cyclobutyloxy-3-fluorophenyl)-6-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxamide is O=C(Nc1ccc(OC2CCC2)c(F)c1)c1coc2cc(-c3nn[nH]n3)ccc12.
What is the InChIKey of N-(4-cyclobutyloxy-3-fluorophenyl)-6-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxamide?
The InChIKey is JWWPWJYZYFEJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O3/c21-16-9-12(5-7-17(16)29-13-2-1-3-13)22-20(27)15-10-28-18-8-11(4-6-14(15)18)19-23-25-26-24-19/h4-10,13H,1-3H2,(H,22,27)(H,23,24,25,26).
What are the key properties of N-(4-cyclobutyloxy-3-fluorophenyl)-6-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxamide?
N-(4-cyclobutyloxy-3-fluorophenyl)-6-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxamide has a molecular weight of 393.38 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclobutyloxy-3-fluorophenyl)-6-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 169234908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).