3-phenylmethoxy-N-(2-propyltetrazol-5-yl)benzamide

C18H19N5O2 — CID 893746

IUPAC3-phenylmethoxy-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2cccc(OCc3ccccc3)c2)n1
InChIInChI=1S/C18H19N5O2/c1-2-11-23-21-18(20-22-23)19-17(24)15-9-6-10-16(12-15)25-13-14-7-4-3-5-8-14/h3-10,12H,2,11,13H2,1H3,(H,19,21,24)
InChIKeyYSOIBWNRSGTFHC-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.91
Rot. Bonds7

About 3-phenylmethoxy-N-(2-propyltetrazol-5-yl)benzamide

3-phenylmethoxy-N-(2-propyltetrazol-5-yl)benzamide (PubChem CID 893746) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-phenylmethoxy-N-(2-propyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-phenylmethoxy-N-(2-propyltetrazol-5-yl)benzamide
PubChem CID893746
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name3-phenylmethoxy-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2cccc(OCc3ccccc3)c2)n1
InChIInChI=1S/C18H19N5O2/c1-2-11-23-21-18(20-22-23)19-17(24)15-9-6-10-16(12-15)25-13-14-7-4-3-5-8-14/h3-10,12H,2,11,13H2,1H3,(H,19,21,24)
InChIKeyYSOIBWNRSGTFHC-UHFFFAOYSA-N
XLogP2.91
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-N-(2-propyltetrazol-5-yl)benzamide?
The IUPAC name of 3-phenylmethoxy-N-(2-propyltetrazol-5-yl)benzamide (CID 893746) is 3-phenylmethoxy-N-(2-propyltetrazol-5-yl)benzamide.
What is the SMILES notation for 3-phenylmethoxy-N-(2-propyltetrazol-5-yl)benzamide?
The canonical SMILES for 3-phenylmethoxy-N-(2-propyltetrazol-5-yl)benzamide is CCCn1nnc(NC(=O)c2cccc(OCc3ccccc3)c2)n1.
What is the InChIKey of 3-phenylmethoxy-N-(2-propyltetrazol-5-yl)benzamide?
The InChIKey is YSOIBWNRSGTFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-2-11-23-21-18(20-22-23)19-17(24)15-9-6-10-16(12-15)25-13-14-7-4-3-5-8-14/h3-10,12H,2,11,13H2,1H3,(H,19,21,24).
What are the key properties of 3-phenylmethoxy-N-(2-propyltetrazol-5-yl)benzamide?
3-phenylmethoxy-N-(2-propyltetrazol-5-yl)benzamide has a molecular weight of 337.38 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-N-(2-propyltetrazol-5-yl)benzamide is sourced from PubChem (CID 893746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).