2-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]-3-hydroxy-1-benzofuran-7-carboxamide

C17H12FN5O3 — CID 138811010

IUPAC2-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]-3-hydroxy-1-benzofuran-7-carboxamide
SMILESNC(=O)c1cccc2c(O)c(Cc3ccc(-c4nn[nH]n4)c(F)c3)oc12
InChIInChI=1S/C17H12FN5O3/c18-12-6-8(4-5-9(12)17-20-22-23-21-17)7-13-14(24)10-2-1-3-11(16(19)25)15(10)26-13/h1-6,24H,7H2,(H2,19,25)(H,20,21,22,23)
InChIKeyQEAANEIMWKHZNN-UHFFFAOYSA-N
MW353.31 g/mol
LogP2.15
Rot. Bonds4

About 2-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]-3-hydroxy-1-benzofuran-7-carboxamide

2-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]-3-hydroxy-1-benzofuran-7-carboxamide (PubChem CID 138811010) has the molecular formula C17H12FN5O3 and a molecular weight of 353.31 g/mol. Its IUPAC name is 2-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]-3-hydroxy-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name2-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]-3-hydroxy-1-benzofuran-7-carboxamide
PubChem CID138811010
Molecular FormulaC17H12FN5O3
Molecular Weight353.31 g/mol
Exact Mass353.09
IUPAC Name2-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]-3-hydroxy-1-benzofuran-7-carboxamide
SMILESNC(=O)c1cccc2c(O)c(Cc3ccc(-c4nn[nH]n4)c(F)c3)oc12
InChIInChI=1S/C17H12FN5O3/c18-12-6-8(4-5-9(12)17-20-22-23-21-17)7-13-14(24)10-2-1-3-11(16(19)25)15(10)26-13/h1-6,24H,7H2,(H2,19,25)(H,20,21,22,23)
InChIKeyQEAANEIMWKHZNN-UHFFFAOYSA-N
XLogP2.15
TPSA130.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]-3-hydroxy-1-benzofuran-7-carboxamide?
The IUPAC name of 2-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]-3-hydroxy-1-benzofuran-7-carboxamide (CID 138811010) is 2-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]-3-hydroxy-1-benzofuran-7-carboxamide.
What is the SMILES notation for 2-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]-3-hydroxy-1-benzofuran-7-carboxamide?
The canonical SMILES for 2-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]-3-hydroxy-1-benzofuran-7-carboxamide is NC(=O)c1cccc2c(O)c(Cc3ccc(-c4nn[nH]n4)c(F)c3)oc12.
What is the InChIKey of 2-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]-3-hydroxy-1-benzofuran-7-carboxamide?
The InChIKey is QEAANEIMWKHZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O3/c18-12-6-8(4-5-9(12)17-20-22-23-21-17)7-13-14(24)10-2-1-3-11(16(19)25)15(10)26-13/h1-6,24H,7H2,(H2,19,25)(H,20,21,22,23).
What are the key properties of 2-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]-3-hydroxy-1-benzofuran-7-carboxamide?
2-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]-3-hydroxy-1-benzofuran-7-carboxamide has a molecular weight of 353.31 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]-3-hydroxy-1-benzofuran-7-carboxamide is sourced from PubChem (CID 138811010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).