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

C15H19N5O2 — CID 109400475

IUPACN-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide
SMILESCN(CC1CCCC1O)C(=O)c1ccccc1-n1cnnn1
InChIInChI=1S/C15H19N5O2/c1-19(9-11-5-4-8-14(11)21)15(22)12-6-2-3-7-13(12)20-10-16-17-18-20/h2-3,6-7,10-11,14,21H,4-5,8-9H2,1H3
InChIKeyXAFNLJWVEPCRHI-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.90
Rot. Bonds4

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

N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide (PubChem CID 109400475) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide
PubChem CID109400475
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide
SMILESCN(CC1CCCC1O)C(=O)c1ccccc1-n1cnnn1
InChIInChI=1S/C15H19N5O2/c1-19(9-11-5-4-8-14(11)21)15(22)12-6-2-3-7-13(12)20-10-16-17-18-20/h2-3,6-7,10-11,14,21H,4-5,8-9H2,1H3
InChIKeyXAFNLJWVEPCRHI-UHFFFAOYSA-N
XLogP0.90
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide (CID 109400475) is N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide is CN(CC1CCCC1O)C(=O)c1ccccc1-n1cnnn1.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide?
The InChIKey is XAFNLJWVEPCRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-19(9-11-5-4-8-14(11)21)15(22)12-6-2-3-7-13(12)20-10-16-17-18-20/h2-3,6-7,10-11,14,21H,4-5,8-9H2,1H3.
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide?
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide has a molecular weight of 301.35 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 109400475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).