N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(tetrazol-1-yl)benzamide

C18H17N5O — CID 4879166

IUPACN-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(tetrazol-1-yl)benzamide
SMILESO=C(NC1CCCc2ccccc21)c1ccccc1-n1cnnn1
InChIInChI=1S/C18H17N5O/c24-18(15-9-3-4-11-17(15)23-12-19-21-22-23)20-16-10-5-7-13-6-1-2-8-14(13)16/h1-4,6,8-9,11-12,16H,5,7,10H2,(H,20,24)
InChIKeyJPPGPLRBLVODKI-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.47
Rot. Bonds3

About N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(tetrazol-1-yl)benzamide

N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(tetrazol-1-yl)benzamide (PubChem CID 4879166) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(tetrazol-1-yl)benzamide
PubChem CID4879166
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(tetrazol-1-yl)benzamide
SMILESO=C(NC1CCCc2ccccc21)c1ccccc1-n1cnnn1
InChIInChI=1S/C18H17N5O/c24-18(15-9-3-4-11-17(15)23-12-19-21-22-23)20-16-10-5-7-13-6-1-2-8-14(13)16/h1-4,6,8-9,11-12,16H,5,7,10H2,(H,20,24)
InChIKeyJPPGPLRBLVODKI-UHFFFAOYSA-N
XLogP2.47
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(tetrazol-1-yl)benzamide
CID 3215286
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(tetrazol-1-yl)benzamide
CID 75490473
N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-(tetrazol-1-yl)benzamide
CID 97496892
3-chloro-2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 11266613
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(tetrazol-1-yl)benzamide
CID 119456565
1-(2-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-triazole-3-carboxamide
CID 42692709
2-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
CID 62072951
4-bromo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450710
2,3,4,5,6-pentafluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 71474180
2-ethylsulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 8777527
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 141027232
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide
CID 3195561

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(tetrazol-1-yl)benzamide (CID 4879166) is N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(tetrazol-1-yl)benzamide is O=C(NC1CCCc2ccccc21)c1ccccc1-n1cnnn1.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(tetrazol-1-yl)benzamide?
The InChIKey is JPPGPLRBLVODKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c24-18(15-9-3-4-11-17(15)23-12-19-21-22-23)20-16-10-5-7-13-6-1-2-8-14(13)16/h1-4,6,8-9,11-12,16H,5,7,10H2,(H,20,24).
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(tetrazol-1-yl)benzamide?
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(tetrazol-1-yl)benzamide has a molecular weight of 319.37 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 4879166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).