N-(3-methoxyphenyl)-4-(tetrazol-1-yl)benzamide

C15H13N5O2 — CID 764196

IUPACN-(3-methoxyphenyl)-4-(tetrazol-1-yl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(-n3cnnn3)cc2)c1
InChIInChI=1S/C15H13N5O2/c1-22-14-4-2-3-12(9-14)17-15(21)11-5-7-13(8-6-11)20-10-16-18-19-20/h2-10H,1H3,(H,17,21)
InChIKeyHAFIIBATECUNNW-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.92
Rot. Bonds4

About N-(3-methoxyphenyl)-4-(tetrazol-1-yl)benzamide

N-(3-methoxyphenyl)-4-(tetrazol-1-yl)benzamide (PubChem CID 764196) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-(tetrazol-1-yl)benzamide
PubChem CID764196
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC NameN-(3-methoxyphenyl)-4-(tetrazol-1-yl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(-n3cnnn3)cc2)c1
InChIInChI=1S/C15H13N5O2/c1-22-14-4-2-3-12(9-14)17-15(21)11-5-7-13(8-6-11)20-10-16-18-19-20/h2-10H,1H3,(H,17,21)
InChIKeyHAFIIBATECUNNW-UHFFFAOYSA-N
XLogP1.92
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(3-methoxyphenyl)-4-(tetrazol-1-yl)benzamide (CID 764196) is N-(3-methoxyphenyl)-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-(tetrazol-1-yl)benzamide is COc1cccc(NC(=O)c2ccc(-n3cnnn3)cc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-(tetrazol-1-yl)benzamide?
The InChIKey is HAFIIBATECUNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-22-14-4-2-3-12(9-14)17-15(21)11-5-7-13(8-6-11)20-10-16-18-19-20/h2-10H,1H3,(H,17,21).
What are the key properties of N-(3-methoxyphenyl)-4-(tetrazol-1-yl)benzamide?
N-(3-methoxyphenyl)-4-(tetrazol-1-yl)benzamide has a molecular weight of 295.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 764196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).