N-(5-methylhexan-2-yl)-2-(tetrazol-1-yl)benzamide

C15H21N5O — CID 78789374

IUPACN-(5-methylhexan-2-yl)-2-(tetrazol-1-yl)benzamide
SMILESCC(C)CCC(C)NC(=O)c1ccccc1-n1cnnn1
InChIInChI=1S/C15H21N5O/c1-11(2)8-9-12(3)17-15(21)13-6-4-5-7-14(13)20-10-16-18-19-20/h4-7,10-12H,8-9H2,1-3H3,(H,17,21)
InChIKeyJUNFJMLWVIQHGL-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.22
Rot. Bonds6

About N-(5-methylhexan-2-yl)-2-(tetrazol-1-yl)benzamide

N-(5-methylhexan-2-yl)-2-(tetrazol-1-yl)benzamide (PubChem CID 78789374) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)-2-(tetrazol-1-yl)benzamide
PubChem CID78789374
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-(5-methylhexan-2-yl)-2-(tetrazol-1-yl)benzamide
SMILESCC(C)CCC(C)NC(=O)c1ccccc1-n1cnnn1
InChIInChI=1S/C15H21N5O/c1-11(2)8-9-12(3)17-15(21)13-6-4-5-7-14(13)20-10-16-18-19-20/h4-7,10-12H,8-9H2,1-3H3,(H,17,21)
InChIKeyJUNFJMLWVIQHGL-UHFFFAOYSA-N
XLogP2.22
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methoxypropan-2-yl)-2-(tetrazol-1-yl)benzamide
CID 46642572
N-chloro-2-(tetrazol-1-yl)benzamide
CID 91422333
N-[1-(2,5-dimethylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 42893682
5-chloro-N-[(2S)-4-phenylbutan-2-yl]-2-(tetrazol-1-yl)benzamide
CID 39894608
N-[4-(2-methylpropanoylamino)phenyl]-2-(tetrazol-1-yl)benzamide
CID 78773489
N-[1-(2,4-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51150347
2-(tetrazol-1-yl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 71829200
2-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51247813
N-(1-methylpyrazol-3-yl)-2-(tetrazol-1-yl)benzamide
CID 51278223
N-[2-(ethylamino)ethyl]-2-(tetrazol-1-yl)benzamide;hydrochloride
CID 119506175
N-(4-methoxybutan-2-yl)-2-(triazol-1-yl)benzamide
CID 75484568
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 9119802

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(5-methylhexan-2-yl)-2-(tetrazol-1-yl)benzamide (CID 78789374) is N-(5-methylhexan-2-yl)-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(5-methylhexan-2-yl)-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(5-methylhexan-2-yl)-2-(tetrazol-1-yl)benzamide is CC(C)CCC(C)NC(=O)c1ccccc1-n1cnnn1.
What is the InChIKey of N-(5-methylhexan-2-yl)-2-(tetrazol-1-yl)benzamide?
The InChIKey is JUNFJMLWVIQHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11(2)8-9-12(3)17-15(21)13-6-4-5-7-14(13)20-10-16-18-19-20/h4-7,10-12H,8-9H2,1-3H3,(H,17,21).
What are the key properties of N-(5-methylhexan-2-yl)-2-(tetrazol-1-yl)benzamide?
N-(5-methylhexan-2-yl)-2-(tetrazol-1-yl)benzamide has a molecular weight of 287.37 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 78789374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).