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

C18H17N5O — CID 3215286

IUPACN-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(tetrazol-1-yl)benzamide
SMILESO=C(NC1CCCc2ccccc21)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C18H17N5O/c24-18(14-7-3-8-15(11-14)23-12-19-21-22-23)20-17-10-4-6-13-5-1-2-9-16(13)17/h1-3,5,7-9,11-12,17H,4,6,10H2,(H,20,24)
InChIKeyXJPYUDKLSSOGAH-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.47
Rot. Bonds3

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

N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(tetrazol-1-yl)benzamide (PubChem CID 3215286) 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)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(tetrazol-1-yl)benzamide
PubChem CID3215286
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(tetrazol-1-yl)benzamide
SMILESO=C(NC1CCCc2ccccc21)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C18H17N5O/c24-18(14-7-3-8-15(11-14)23-12-19-21-22-23)20-17-10-4-6-13-5-1-2-9-16(13)17/h1-3,5,7-9,11-12,17H,4,6,10H2,(H,20,24)
InChIKeyXJPYUDKLSSOGAH-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-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(tetrazol-1-yl)benzamide
CID 39952228
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(tetrazol-1-yl)benzamide
CID 4879166
4-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid
CID 151875161
3-(1-propan-2-yltetrazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 75768255
3-(4-bromopyrazol-1-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 52538046
N-[(1R,2S)-2-methylcyclohexyl]-3-(tetrazol-1-yl)benzamide
CID 28935459
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]naphthalene-2-carboxamide
CID 7688440
3-(dimethylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2441074
3-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4842813
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(tetrazol-1-yl)benzamide
CID 91820905
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide
CID 3195561
4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-dicarboxamide
CID 42916066

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(tetrazol-1-yl)benzamide (CID 3215286) is N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(tetrazol-1-yl)benzamide is O=C(NC1CCCc2ccccc21)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is XJPYUDKLSSOGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c24-18(14-7-3-8-15(11-14)23-12-19-21-22-23)20-17-10-4-6-13-5-1-2-9-16(13)17/h1-3,5,7-9,11-12,17H,4,6,10H2,(H,20,24).
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(tetrazol-1-yl)benzamide?
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(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)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 3215286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).