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

C22H19N5O3 — CID 13026907

IUPAC2,4-bis(phenylmethoxy)-N-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1nn[nH]n1)c1ccc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C22H19N5O3/c28-21(23-22-24-26-27-25-22)19-12-11-18(29-14-16-7-3-1-4-8-16)13-20(19)30-15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H2,23,24,25,26,27,28)
InChIKeyGBZMXWRABYRTEU-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.61
Rot. Bonds8

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

2,4-bis(phenylmethoxy)-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 13026907) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is 2,4-bis(phenylmethoxy)-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2,4-bis(phenylmethoxy)-N-(2H-tetrazol-5-yl)benzamide
PubChem CID13026907
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC Name2,4-bis(phenylmethoxy)-N-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1nn[nH]n1)c1ccc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C22H19N5O3/c28-21(23-22-24-26-27-25-22)19-12-11-18(29-14-16-7-3-1-4-8-16)13-20(19)30-15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H2,23,24,25,26,27,28)
InChIKeyGBZMXWRABYRTEU-UHFFFAOYSA-N
XLogP3.61
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-iodo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide
CID 14276518
2-ethoxy-N-(1H-tetrazol-5-yl)benzamide
CID 896527
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
4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)-3-trimethylsilylbenzamide
CID 14873723
4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-3-methoxy-N-(2H-tetrazol-5-yl)benzamide
CID 14523554
7-methoxy-4-oxo-3-phenyl-N-(2H-tetrazol-5-yl)chromene-2-carboxamide
CID 90673461
2,6-dimethoxy-N-(1H-tetrazol-5-yl)benzamide
CID 879615
4-(cyclohexylmethoxy)-N-(2H-tetrazol-5-yl)benzamide
CID 96327853
2-Benzyloxy-5-trifluoromethyl-N-(tetrazol-5-yl)benzamide
CID 13026917
2,4-dimethoxy-N-(1H-tetrazol-5-yl)benzamide
CID 896935
2,6-dimethoxy-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 954606

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(phenylmethoxy)-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 2,4-bis(phenylmethoxy)-N-(2H-tetrazol-5-yl)benzamide (CID 13026907) is 2,4-bis(phenylmethoxy)-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 2,4-bis(phenylmethoxy)-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 2,4-bis(phenylmethoxy)-N-(2H-tetrazol-5-yl)benzamide is O=C(Nc1nn[nH]n1)c1ccc(OCc2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of 2,4-bis(phenylmethoxy)-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is GBZMXWRABYRTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c28-21(23-22-24-26-27-25-22)19-12-11-18(29-14-16-7-3-1-4-8-16)13-20(19)30-15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H2,23,24,25,26,27,28).
What are the key properties of 2,4-bis(phenylmethoxy)-N-(2H-tetrazol-5-yl)benzamide?
2,4-bis(phenylmethoxy)-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 401.43 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(phenylmethoxy)-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 13026907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).