4-methoxy-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide

C21H17N5O2 — CID 134131064

IUPAC4-methoxy-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H17N5O2/c1-28-17-13-11-15(12-14-17)21(27)22-19-10-6-5-9-18(19)20-23-25-26(24-20)16-7-3-2-4-8-16/h2-14H,1H3,(H,22,27)
InChIKeyLOASXRXGWPKWPM-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.59
Rot. Bonds5

About 4-methoxy-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide

4-methoxy-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide (PubChem CID 134131064) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 4-methoxy-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide
PubChem CID134131064
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name4-methoxy-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H17N5O2/c1-28-17-13-11-15(12-14-17)21(27)22-19-10-6-5-9-18(19)20-23-25-26(24-20)16-7-3-2-4-8-16/h2-14H,1H3,(H,22,27)
InChIKeyLOASXRXGWPKWPM-UHFFFAOYSA-N
XLogP3.59
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide (CID 134131064) is 4-methoxy-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-methoxy-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide?
The InChIKey is LOASXRXGWPKWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-28-17-13-11-15(12-14-17)21(27)22-19-10-6-5-9-18(19)20-23-25-26(24-20)16-7-3-2-4-8-16/h2-14H,1H3,(H,22,27).
What are the key properties of 4-methoxy-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide?
4-methoxy-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide has a molecular weight of 371.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 134131064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).