N-[[2-(hydroxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)benzamide

C16H15N5O2 — CID 110931289

IUPACN-[[2-(hydroxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCc1ccccc1CO)c1ccccc1-n1cnnn1
InChIInChI=1S/C16H15N5O2/c22-10-13-6-2-1-5-12(13)9-17-16(23)14-7-3-4-8-15(14)21-11-18-19-20-21/h1-8,11,22H,9-10H2,(H,17,23)
InChIKeyCASAOSHHGZOGHH-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.08
Rot. Bonds5

About N-[[2-(hydroxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)benzamide

N-[[2-(hydroxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)benzamide (PubChem CID 110931289) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)benzamide
PubChem CID110931289
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC NameN-[[2-(hydroxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCc1ccccc1CO)c1ccccc1-n1cnnn1
InChIInChI=1S/C16H15N5O2/c22-10-13-6-2-1-5-12(13)9-17-16(23)14-7-3-4-8-15(14)21-11-18-19-20-21/h1-8,11,22H,9-10H2,(H,17,23)
InChIKeyCASAOSHHGZOGHH-UHFFFAOYSA-N
XLogP1.08
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 28934785
2-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide
CID 111102341
N-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 9208938
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)benzamide
CID 24668798
N-chloro-2-(tetrazol-1-yl)benzamide
CID 91422333
2-(tetrazol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 46541136
N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51151935
N-[2-(ethylamino)ethyl]-2-(tetrazol-1-yl)benzamide;hydrochloride
CID 119506175
N-[2-(3,5-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51101650
N-[(1-hydroxycyclobutyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 111445767
2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17412980
N-[4-(2-methylpropanoylamino)phenyl]-2-(tetrazol-1-yl)benzamide
CID 78773489

Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)benzamide (CID 110931289) is N-[[2-(hydroxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[[2-(hydroxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)benzamide is O=C(NCc1ccccc1CO)c1ccccc1-n1cnnn1.
What is the InChIKey of N-[[2-(hydroxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is CASAOSHHGZOGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c22-10-13-6-2-1-5-12(13)9-17-16(23)14-7-3-4-8-15(14)21-11-18-19-20-21/h1-8,11,22H,9-10H2,(H,17,23).
What are the key properties of N-[[2-(hydroxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)benzamide?
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 309.33 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(hydroxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 110931289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).