N-(4-acetylphenyl)-4-(tetrazol-1-yl)benzamide

C16H13N5O2 — CID 864758

IUPACN-(4-acetylphenyl)-4-(tetrazol-1-yl)benzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C16H13N5O2/c1-11(22)12-2-6-14(7-3-12)18-16(23)13-4-8-15(9-5-13)21-10-17-19-20-21/h2-10H,1H3,(H,18,23)
InChIKeyANOOHITYGDUBCA-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.12
Rot. Bonds4

About N-(4-acetylphenyl)-4-(tetrazol-1-yl)benzamide

N-(4-acetylphenyl)-4-(tetrazol-1-yl)benzamide (PubChem CID 864758) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-(tetrazol-1-yl)benzamide
PubChem CID864758
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC NameN-(4-acetylphenyl)-4-(tetrazol-1-yl)benzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C16H13N5O2/c1-11(22)12-2-6-14(7-3-12)18-16(23)13-4-8-15(9-5-13)21-10-17-19-20-21/h2-10H,1H3,(H,18,23)
InChIKeyANOOHITYGDUBCA-UHFFFAOYSA-N
XLogP2.12
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(4-acetylphenyl)-4-(tetrazol-1-yl)benzamide (CID 864758) is N-(4-acetylphenyl)-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(4-acetylphenyl)-4-(tetrazol-1-yl)benzamide is CC(=O)c1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-(tetrazol-1-yl)benzamide?
The InChIKey is ANOOHITYGDUBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c1-11(22)12-2-6-14(7-3-12)18-16(23)13-4-8-15(9-5-13)21-10-17-19-20-21/h2-10H,1H3,(H,18,23).
What are the key properties of N-(4-acetylphenyl)-4-(tetrazol-1-yl)benzamide?
N-(4-acetylphenyl)-4-(tetrazol-1-yl)benzamide has a molecular weight of 307.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 864758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).