N-benzyl-2-(5-phenyltetrazol-2-yl)acetamide

C16H15N5O — CID 714078

IUPACN-benzyl-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NCc1ccccc1
InChIInChI=1S/C16H15N5O/c22-15(17-11-13-7-3-1-4-8-13)12-21-19-16(18-20-21)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,22)
InChIKeyBGKBKUSKONZRQR-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.66
Rot. Bonds5

About N-benzyl-2-(5-phenyltetrazol-2-yl)acetamide

N-benzyl-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 714078) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-benzyl-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID714078
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-benzyl-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NCc1ccccc1
InChIInChI=1S/C16H15N5O/c22-15(17-11-13-7-3-1-4-8-13)12-21-19-16(18-20-21)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,22)
InChIKeyBGKBKUSKONZRQR-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-benzyl-2-(5-phenyltetrazol-2-yl)acetamide (CID 714078) is N-benzyl-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-benzyl-2-(5-phenyltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2ccccc2)n1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is BGKBKUSKONZRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c22-15(17-11-13-7-3-1-4-8-13)12-21-19-16(18-20-21)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,22).
What are the key properties of N-benzyl-2-(5-phenyltetrazol-2-yl)acetamide?
N-benzyl-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 293.33 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 714078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).