N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide

C17H12FN5O2 — CID 16799307

IUPACN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1
InChIInChI=1S/C17H12FN5O2/c18-12-5-7-13(8-6-12)23-16(20-21-22-23)10-19-17(24)15-9-11-3-1-2-4-14(11)25-15/h1-9H,10H2,(H,19,24)
InChIKeyHWPCPMMGIYRIRS-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.48
Rot. Bonds4

About N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide

N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 16799307) has the molecular formula C17H12FN5O2 and a molecular weight of 337.31 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide
PubChem CID16799307
Molecular FormulaC17H12FN5O2
Molecular Weight337.31 g/mol
Exact Mass337.10
IUPAC NameN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1
InChIInChI=1S/C17H12FN5O2/c18-12-5-7-13(8-6-12)23-16(20-21-22-23)10-19-17(24)15-9-11-3-1-2-4-14(11)25-15/h1-9H,10H2,(H,19,24)
InChIKeyHWPCPMMGIYRIRS-UHFFFAOYSA-N
XLogP2.48
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 16799279
5-bromo-2-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 16799284
4-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 27548864
2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 18565796
N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide
CID 18565743
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
N-[(1-methylbenzimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 126797185
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 27451445
5-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 119059323
1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-thiophen-2-ylurea
CID 16799339
1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 18566113
2-cyclopentyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]acetamide
CID 16799275

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide (CID 16799307) is N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide is O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc2ccccc2o1.
What is the InChIKey of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is HWPCPMMGIYRIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O2/c18-12-5-7-13(8-6-12)23-16(20-21-22-23)10-19-17(24)15-9-11-3-1-2-4-14(11)25-15/h1-9H,10H2,(H,19,24).
What are the key properties of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide?
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 337.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16799307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).