2,6-dimethoxy-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide

C16H15N5O3 — CID 110720193

IUPAC2,6-dimethoxy-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C16H15N5O3/c1-23-12-4-3-5-13(24-2)14(12)16(22)17-11-8-6-10(7-9-11)15-18-20-21-19-15/h3-9H,1-2H3,(H,17,22)(H,18,19,20,21)
InChIKeyRSTAOTNURZQVFK-UHFFFAOYSA-N
MW325.33 g/mol
LogP2.14
Rot. Bonds5

About 2,6-dimethoxy-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide

2,6-dimethoxy-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide (PubChem CID 110720193) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
PubChem CID110720193
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name2,6-dimethoxy-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C16H15N5O3/c1-23-12-4-3-5-13(24-2)14(12)16(22)17-11-8-6-10(7-9-11)15-18-20-21-19-15/h3-9H,1-2H3,(H,17,22)(H,18,19,20,21)
InChIKeyRSTAOTNURZQVFK-UHFFFAOYSA-N
XLogP2.14
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 23541019
2,3-dimethoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17164751
N-(4-phenylphenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 25487596
N-(4-carbamoylphenyl)-2,6-dimethoxybenzamide
CID 4126051
4-methoxy-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide
CID 97183865
methyl 4-oxo-4-[4-(2H-tetrazol-5-yl)anilino]butanoate
CID 110720176
4-bromo-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
CID 110720188
N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide
CID 3606271
N-(4-ethylphenyl)-2,6-dimethoxybenzamide
CID 596670
N-[4-(1H-imidazol-2-yl)phenyl]-2,6-dimethoxybenzamide
CID 110726514
3-(2,5-dimethoxyphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]propanamide
CID 86865604
N-(4-iodophenyl)-2,6-dimethoxybenzamide
CID 1019212

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide (CID 110720193) is 2,6-dimethoxy-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide is COc1cccc(OC)c1C(=O)Nc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 2,6-dimethoxy-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide?
The InChIKey is RSTAOTNURZQVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-23-12-4-3-5-13(24-2)14(12)16(22)17-11-8-6-10(7-9-11)15-18-20-21-19-15/h3-9H,1-2H3,(H,17,22)(H,18,19,20,21).
What are the key properties of 2,6-dimethoxy-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide?
2,6-dimethoxy-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide has a molecular weight of 325.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 110720193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).