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Cenobamate

C10H10ClN5O2 — CID 11962412

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl] carbamate
SMILESNC(=O)O[C@@H](Cn1ncnn1)c1ccccc1Cl
InChIInChI=1S/C10H10ClN5O2/c11-8-4-2-1-3-7(8)9(18-10(12)17)5-16-14-6-13-15-16/h1-4,6,9H,5H2,(H2,12,17)/t9-/m0/s1
InChIKeyGFHAXPJGXSQLPT-VIFPVBQESA-N
MW267.68 g/mol
LogP1.16
Rot. Bonds4

About Cenobamate

Cenobamate (PubChem CID 11962412) has the molecular formula C10H10ClN5O2 and a molecular weight of 267.68 g/mol. Its IUPAC name is [(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl] carbamate.

Molecular Properties

Compound NameCenobamate
PubChem CID11962412
Molecular FormulaC10H10ClN5O2
Molecular Weight267.68 g/mol
Exact Mass267.05
IUPAC Name[(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl] carbamate
SMILESNC(=O)O[C@@H](Cn1ncnn1)c1ccccc1Cl
InChIInChI=1S/C10H10ClN5O2/c11-8-4-2-1-3-7(8)9(18-10(12)17)5-16-14-6-13-15-16/h1-4,6,9H,5H2,(H2,12,17)/t9-/m0/s1
InChIKeyGFHAXPJGXSQLPT-VIFPVBQESA-N
XLogP1.16
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Tetrazol-2-yl-acetic acid 2-chloro-benzyl ester
CID 649441
(1S)-1-(2-chlorophenyl)-2-(2H-1,2,3,4-tetrazol-2-yl)ethyl carbamate
CID 11962443
alpha-(2-Chlorophenyl)-2H-tetrazole-2-ethanol, (alphaR)-
CID 67120090

Frequently Asked Questions

What is the IUPAC name of Cenobamate?
The IUPAC name of Cenobamate (CID 11962412) is [(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl] carbamate.
What is the SMILES notation for Cenobamate?
The canonical SMILES for Cenobamate is NC(=O)O[C@@H](Cn1ncnn1)c1ccccc1Cl.
What is the InChIKey of Cenobamate?
The InChIKey is GFHAXPJGXSQLPT-VIFPVBQESA-N. The full InChI is InChI=1S/C10H10ClN5O2/c11-8-4-2-1-3-7(8)9(18-10(12)17)5-16-14-6-13-15-16/h1-4,6,9H,5H2,(H2,12,17)/t9-/m0/s1.
What are the key properties of Cenobamate?
Cenobamate has a molecular weight of 267.68 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Cenobamate is sourced from PubChem (CID 11962412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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