N-(4-octoxyphenyl)-4-(2H-tetrazol-5-yl)benzamide

C22H27N5O2 — CID 11372797

IUPACN-(4-octoxyphenyl)-4-(2H-tetrazol-5-yl)benzamide
SMILESCCCCCCCCOc1ccc(NC(=O)c2ccc(-c3nn[nH]n3)cc2)cc1
InChIInChI=1S/C22H27N5O2/c1-2-3-4-5-6-7-16-29-20-14-12-19(13-15-20)23-22(28)18-10-8-17(9-11-18)21-24-26-27-25-21/h8-15H,2-7,16H2,1H3,(H,23,28)(H,24,25,26,27)
InChIKeyMJKDBTQBMSWFAZ-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.86
Rot. Bonds11

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

N-(4-octoxyphenyl)-4-(2H-tetrazol-5-yl)benzamide (PubChem CID 11372797) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(4-octoxyphenyl)-4-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(4-octoxyphenyl)-4-(2H-tetrazol-5-yl)benzamide
PubChem CID11372797
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-(4-octoxyphenyl)-4-(2H-tetrazol-5-yl)benzamide
SMILESCCCCCCCCOc1ccc(NC(=O)c2ccc(-c3nn[nH]n3)cc2)cc1
InChIInChI=1S/C22H27N5O2/c1-2-3-4-5-6-7-16-29-20-14-12-19(13-15-20)23-22(28)18-10-8-17(9-11-18)21-24-26-27-25-21/h8-15H,2-7,16H2,1H3,(H,23,28)(H,24,25,26,27)
InChIKeyMJKDBTQBMSWFAZ-UHFFFAOYSA-N
XLogP4.86
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-heptoxyphenyl)-4-(4-methoxyphenyl)benzamide
CID 101044220
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
CID 17218814
pentyl 4-[(4-hexoxybenzoyl)amino]benzoate
CID 19170775
N-(4-iodophenyl)-4-pentoxybenzamide
CID 4935000
4-hexoxy-N-[4-[4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]phenyl]benzamide
CID 59816434
2-(4-hexoxyphenyl)-5-[4-(2H-tetrazol-5-yl)phenyl]-1,3,4-oxadiazole
CID 50936800
N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 4951578
N-(4-cyanophenyl)-4-decoxybenzamide
CID 101059552
diethyl [4-[[4-(4-octoxyphenyl)benzoyl]amino]phenyl] phosphate
CID 24822338
N-(4-pentoxyphenyl)-4-(5-pentyl-2-pyridinyl)benzamide
CID 3324314
4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 17340246

Frequently Asked Questions

What is the IUPAC name of N-(4-octoxyphenyl)-4-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-(4-octoxyphenyl)-4-(2H-tetrazol-5-yl)benzamide (CID 11372797) is N-(4-octoxyphenyl)-4-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-(4-octoxyphenyl)-4-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-(4-octoxyphenyl)-4-(2H-tetrazol-5-yl)benzamide is CCCCCCCCOc1ccc(NC(=O)c2ccc(-c3nn[nH]n3)cc2)cc1.
What is the InChIKey of N-(4-octoxyphenyl)-4-(2H-tetrazol-5-yl)benzamide?
The InChIKey is MJKDBTQBMSWFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-2-3-4-5-6-7-16-29-20-14-12-19(13-15-20)23-22(28)18-10-8-17(9-11-18)21-24-26-27-25-21/h8-15H,2-7,16H2,1H3,(H,23,28)(H,24,25,26,27).
What are the key properties of N-(4-octoxyphenyl)-4-(2H-tetrazol-5-yl)benzamide?
N-(4-octoxyphenyl)-4-(2H-tetrazol-5-yl)benzamide has a molecular weight of 393.49 g/mol, XLogP of 4.86, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-octoxyphenyl)-4-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 11372797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).