4-phenyl-N-(2-propyltetrazol-5-yl)benzamide

C17H17N5O — CID 893341

IUPAC4-phenyl-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C17H17N5O/c1-2-12-22-20-17(19-21-22)18-16(23)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,18,20,23)
InChIKeyUSMGJPPGRRWUIT-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.00
Rot. Bonds5

About 4-phenyl-N-(2-propyltetrazol-5-yl)benzamide

4-phenyl-N-(2-propyltetrazol-5-yl)benzamide (PubChem CID 893341) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 4-phenyl-N-(2-propyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-phenyl-N-(2-propyltetrazol-5-yl)benzamide
PubChem CID893341
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name4-phenyl-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C17H17N5O/c1-2-12-22-20-17(19-21-22)18-16(23)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,18,20,23)
InChIKeyUSMGJPPGRRWUIT-UHFFFAOYSA-N
XLogP3.00
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(2-propyltetrazol-5-yl)benzamide?
The IUPAC name of 4-phenyl-N-(2-propyltetrazol-5-yl)benzamide (CID 893341) is 4-phenyl-N-(2-propyltetrazol-5-yl)benzamide.
What is the SMILES notation for 4-phenyl-N-(2-propyltetrazol-5-yl)benzamide?
The canonical SMILES for 4-phenyl-N-(2-propyltetrazol-5-yl)benzamide is CCCn1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 4-phenyl-N-(2-propyltetrazol-5-yl)benzamide?
The InChIKey is USMGJPPGRRWUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-2-12-22-20-17(19-21-22)18-16(23)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,18,20,23).
What are the key properties of 4-phenyl-N-(2-propyltetrazol-5-yl)benzamide?
4-phenyl-N-(2-propyltetrazol-5-yl)benzamide has a molecular weight of 307.36 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(2-propyltetrazol-5-yl)benzamide is sourced from PubChem (CID 893341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).