N-(2-phenylethyl)-4-(tetrazol-1-yl)benzamide

C16H15N5O — CID 645782

IUPACN-(2-phenylethyl)-4-(tetrazol-1-yl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H15N5O/c22-16(17-11-10-13-4-2-1-3-5-13)14-6-8-15(9-7-14)21-12-18-19-20-21/h1-9,12H,10-11H2,(H,17,22)
InChIKeyIHSVKIQLCNMTQO-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.63
Rot. Bonds5

About N-(2-phenylethyl)-4-(tetrazol-1-yl)benzamide

N-(2-phenylethyl)-4-(tetrazol-1-yl)benzamide (PubChem CID 645782) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-(tetrazol-1-yl)benzamide
PubChem CID645782
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-(2-phenylethyl)-4-(tetrazol-1-yl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H15N5O/c22-16(17-11-10-13-4-2-1-3-5-13)14-6-8-15(9-7-14)21-12-18-19-20-21/h1-9,12H,10-11H2,(H,17,22)
InChIKeyIHSVKIQLCNMTQO-UHFFFAOYSA-N
XLogP1.63
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(2-phenylethyl)-4-(tetrazol-1-yl)benzamide (CID 645782) is N-(2-phenylethyl)-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(2-phenylethyl)-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(2-phenylethyl)-4-(tetrazol-1-yl)benzamide is O=C(NCCc1ccccc1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-(2-phenylethyl)-4-(tetrazol-1-yl)benzamide?
The InChIKey is IHSVKIQLCNMTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c22-16(17-11-10-13-4-2-1-3-5-13)14-6-8-15(9-7-14)21-12-18-19-20-21/h1-9,12H,10-11H2,(H,17,22).
What are the key properties of N-(2-phenylethyl)-4-(tetrazol-1-yl)benzamide?
N-(2-phenylethyl)-4-(tetrazol-1-yl)benzamide has a molecular weight of 293.33 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 645782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).