N-benzoyl-N-(1-methyltetrazol-5-yl)benzamide

C16H13N5O2 — CID 135343671

IUPACN-benzoyl-N-(1-methyltetrazol-5-yl)benzamide
SMILESCn1nnnc1N(C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C16H13N5O2/c1-20-16(17-18-19-20)21(14(22)12-8-4-2-5-9-12)15(23)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyMFWPFWKHRJMAHI-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.70
Rot. Bonds3

About N-benzoyl-N-(1-methyltetrazol-5-yl)benzamide

N-benzoyl-N-(1-methyltetrazol-5-yl)benzamide (PubChem CID 135343671) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-benzoyl-N-(1-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-benzoyl-N-(1-methyltetrazol-5-yl)benzamide
PubChem CID135343671
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC NameN-benzoyl-N-(1-methyltetrazol-5-yl)benzamide
SMILESCn1nnnc1N(C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C16H13N5O2/c1-20-16(17-18-19-20)21(14(22)12-8-4-2-5-9-12)15(23)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyMFWPFWKHRJMAHI-UHFFFAOYSA-N
XLogP1.70
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzoyl-N-(1-methyltetrazol-5-yl)benzamide?
The IUPAC name of N-benzoyl-N-(1-methyltetrazol-5-yl)benzamide (CID 135343671) is N-benzoyl-N-(1-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for N-benzoyl-N-(1-methyltetrazol-5-yl)benzamide?
The canonical SMILES for N-benzoyl-N-(1-methyltetrazol-5-yl)benzamide is Cn1nnnc1N(C(=O)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of N-benzoyl-N-(1-methyltetrazol-5-yl)benzamide?
The InChIKey is MFWPFWKHRJMAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c1-20-16(17-18-19-20)21(14(22)12-8-4-2-5-9-12)15(23)13-10-6-3-7-11-13/h2-11H,1H3.
What are the key properties of N-benzoyl-N-(1-methyltetrazol-5-yl)benzamide?
N-benzoyl-N-(1-methyltetrazol-5-yl)benzamide has a molecular weight of 307.31 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzoyl-N-(1-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 135343671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).