4-fluoro-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide

C15H12FN5O2 — CID 579471

IUPAC4-fluoro-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccc(F)cc2)cc(-n2cnnn2)c1
InChIInChI=1S/C15H12FN5O2/c1-23-14-7-12(6-13(8-14)21-9-17-19-20-21)18-15(22)10-2-4-11(16)5-3-10/h2-9H,1H3,(H,18,22)
InChIKeyMBLFILNACJPFSH-UHFFFAOYSA-N
MW313.29 g/mol
LogP2.06
Rot. Bonds4

About 4-fluoro-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide

4-fluoro-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 579471) has the molecular formula C15H12FN5O2 and a molecular weight of 313.29 g/mol. Its IUPAC name is 4-fluoro-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide
PubChem CID579471
Molecular FormulaC15H12FN5O2
Molecular Weight313.29 g/mol
Exact Mass313.10
IUPAC Name4-fluoro-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccc(F)cc2)cc(-n2cnnn2)c1
InChIInChI=1S/C15H12FN5O2/c1-23-14-7-12(6-13(8-14)21-9-17-19-20-21)18-15(22)10-2-4-11(16)5-3-10/h2-9H,1H3,(H,18,22)
InChIKeyMBLFILNACJPFSH-UHFFFAOYSA-N
XLogP2.06
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide (CID 579471) is 4-fluoro-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide is COc1cc(NC(=O)c2ccc(F)cc2)cc(-n2cnnn2)c1.
What is the InChIKey of 4-fluoro-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is MBLFILNACJPFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O2/c1-23-14-7-12(6-13(8-14)21-9-17-19-20-21)18-15(22)10-2-4-11(16)5-3-10/h2-9H,1H3,(H,18,22).
What are the key properties of 4-fluoro-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide?
4-fluoro-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 313.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 579471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).