2,4-dimethoxy-N-(2H-tetrazol-5-yl)benzamide

C10H11N5O3 — CID 896935

IUPAC2,4-dimethoxy-N-(2H-tetrazol-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nn[nH]n2)c(OC)c1
InChIInChI=1S/C10H11N5O3/c1-17-6-3-4-7(8(5-6)18-2)9(16)11-10-12-14-15-13-10/h3-5H,1-2H3,(H2,11,12,13,14,15,16)
InChIKeyZMNLQSLWMRNBIC-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.47
Rot. Bonds4

About 2,4-dimethoxy-N-(2H-tetrazol-5-yl)benzamide

2,4-dimethoxy-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 896935) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2,4-dimethoxy-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-(2H-tetrazol-5-yl)benzamide
PubChem CID896935
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Name2,4-dimethoxy-N-(2H-tetrazol-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nn[nH]n2)c(OC)c1
InChIInChI=1S/C10H11N5O3/c1-17-6-3-4-7(8(5-6)18-2)9(16)11-10-12-14-15-13-10/h3-5H,1-2H3,(H2,11,12,13,14,15,16)
InChIKeyZMNLQSLWMRNBIC-UHFFFAOYSA-N
XLogP0.47
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Bas 07005712
CID 656143
4-methoxy-N-(2-propyltetrazol-5-yl)benzamide
CID 900454
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide
CID 869015
3-iodo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide
CID 14276518
N-(2-Ethyl-2H-tetrazol-5-yl)-2,6-dimethoxy-benzamide
CID 650151
2,4-dimethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 750651
2,4-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 821625
2-ethoxy-N-(1H-tetrazol-5-yl)benzamide
CID 896527
2,4-dimethoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 936109
2-hydroxy-4-methoxy-N-(4H-1,2,4-triazol-3-yl)benzamide
CID 6481027
3-bromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide
CID 14276516
4-methoxy-2-(1-methylethoxy)-N-1H-tetrazol-5-ylbenzamide
CID 14276517

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 2,4-dimethoxy-N-(2H-tetrazol-5-yl)benzamide (CID 896935) is 2,4-dimethoxy-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 2,4-dimethoxy-N-(2H-tetrazol-5-yl)benzamide is COc1ccc(C(=O)Nc2nn[nH]n2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is ZMNLQSLWMRNBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3/c1-17-6-3-4-7(8(5-6)18-2)9(16)11-10-12-14-15-13-10/h3-5H,1-2H3,(H2,11,12,13,14,15,16).
What are the key properties of 2,4-dimethoxy-N-(2H-tetrazol-5-yl)benzamide?
2,4-dimethoxy-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 249.23 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 896935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).