3-cyclopropyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide

C17H15N5O — CID 70683748

IUPAC3-cyclopropyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccc(C2CC2)c1
InChIInChI=1S/C17H15N5O/c23-17(14-5-1-3-12(9-14)11-7-8-11)18-15-6-2-4-13(10-15)16-19-21-22-20-16/h1-6,9-11H,7-8H2,(H,18,23)(H,19,20,21,22)
InChIKeyXYBILEOCKKRPQU-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.00
Rot. Bonds4

About 3-cyclopropyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide

3-cyclopropyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide (PubChem CID 70683748) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-cyclopropyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
PubChem CID70683748
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name3-cyclopropyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccc(C2CC2)c1
InChIInChI=1S/C17H15N5O/c23-17(14-5-1-3-12(9-14)11-7-8-11)18-15-6-2-4-13(10-15)16-19-21-22-20-16/h1-6,9-11H,7-8H2,(H,18,23)(H,19,20,21,22)
InChIKeyXYBILEOCKKRPQU-UHFFFAOYSA-N
XLogP3.00
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The IUPAC name of 3-cyclopropyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide (CID 70683748) is 3-cyclopropyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 3-cyclopropyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The canonical SMILES for 3-cyclopropyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide is O=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccc(C2CC2)c1.
What is the InChIKey of 3-cyclopropyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The InChIKey is XYBILEOCKKRPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c23-17(14-5-1-3-12(9-14)11-7-8-11)18-15-6-2-4-13(10-15)16-19-21-22-20-16/h1-6,9-11H,7-8H2,(H,18,23)(H,19,20,21,22).
What are the key properties of 3-cyclopropyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
3-cyclopropyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide has a molecular weight of 305.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 70683748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).