(2Z)-2-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide

C17H10FN5O3 — CID 155529239

IUPAC(2Z)-2-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
SMILESNC(=O)c1cccc2c1O/C(=C\c1ccc(-c3nn[nH]n3)c(F)c1)C2=O
InChIInChI=1S/C17H10FN5O3/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/h1-7H,(H2,19,25)(H,20,21,22,23)/b13-7-
InChIKeyXYMUVBUGCMKVJH-QPEQYQDCSA-N
MW351.30 g/mol
LogP1.72
Rot. Bonds3

About (2Z)-2-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide

(2Z)-2-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide (PubChem CID 155529239) has the molecular formula C17H10FN5O3 and a molecular weight of 351.30 g/mol. Its IUPAC name is (2Z)-2-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name(2Z)-2-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
PubChem CID155529239
Molecular FormulaC17H10FN5O3
Molecular Weight351.30 g/mol
Exact Mass351.08
IUPAC Name(2Z)-2-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
SMILESNC(=O)c1cccc2c1O/C(=C\c1ccc(-c3nn[nH]n3)c(F)c1)C2=O
InChIInChI=1S/C17H10FN5O3/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/h1-7H,(H2,19,25)(H,20,21,22,23)/b13-7-
InChIKeyXYMUVBUGCMKVJH-QPEQYQDCSA-N
XLogP1.72
TPSA123.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-(1h-Tetrazol-5-Yl)phenyl]-4h-Chromen-4-One
CID 46742374
(2Z)-3-oxo-2-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-7-carboxamide
CID 155524058
(2Z)-3-oxo-2-[[3-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-7-carboxamide
CID 155538039
(2Z)-2-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
CID 155541447
(2Z)-2-[[4-(2-methyltetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
CID 155541970
2-phenyl-6-(2H-tetrazol-5-yl)chromen-4-one
CID 2817492
2-{[3-fluoro-4-(1H-tetrazol-5-yl)phenyl]methyl}-3-hydroxy-1-benzofuran-7-carboxamide
CID 138811010
3-[(4-fluorophenyl)methylidene]-7-(2H-tetrazol-5-yl)-1,2-dihydrocyclopenta[b]chromen-9-one
CID 54281252
(3E)-3-[(4-fluorophenyl)methylidene]-7-(2H-tetrazol-5-yl)-1,2-dihydrocyclopenta[b]chromen-9-one
CID 70431710
2-[(4-fluorophenyl)methyl]-5-[3-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-3-carboxamide
CID 91148162
6-(1-benzofuran-2-yl)-5-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]hexanamide
CID 123145333
2-(4-cyclopentyl-3-fluorophenyl)-5-fluoro-6-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxamide
CID 176144013

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide?
The IUPAC name of (2Z)-2-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide (CID 155529239) is (2Z)-2-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide.
What is the SMILES notation for (2Z)-2-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide?
The canonical SMILES for (2Z)-2-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide is NC(=O)c1cccc2c1O/C(=C\c1ccc(-c3nn[nH]n3)c(F)c1)C2=O.
What is the InChIKey of (2Z)-2-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide?
The InChIKey is XYMUVBUGCMKVJH-QPEQYQDCSA-N. The full InChI is InChI=1S/C17H10FN5O3/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/h1-7H,(H2,19,25)(H,20,21,22,23)/b13-7-.
What are the key properties of (2Z)-2-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide?
(2Z)-2-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide has a molecular weight of 351.30 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide is sourced from PubChem (CID 155529239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).