2-benzamido-N-(2-methylphenyl)-1,3-selenazole-5-carboxamide

C18H15N3O2Se — CID 86344873

IUPAC2-benzamido-N-(2-methylphenyl)-1,3-selenazole-5-carboxamide
SMILESCc1ccccc1NC(=O)c1cnc(NC(=O)c2ccccc2)[se]1
InChIInChI=1S/C18H15N3O2Se/c1-12-7-5-6-10-14(12)20-17(23)15-11-19-18(24-15)21-16(22)13-8-3-2-4-9-13/h2-11H,1H3,(H,20,23)(H,19,21,22)
InChIKeyOMBWQRGDLYCDFE-UHFFFAOYSA-N
MW384.30 g/mol
LogP2.95
Rot. Bonds4

About 2-benzamido-N-(2-methylphenyl)-1,3-selenazole-5-carboxamide

2-benzamido-N-(2-methylphenyl)-1,3-selenazole-5-carboxamide (PubChem CID 86344873) has the molecular formula C18H15N3O2Se and a molecular weight of 384.30 g/mol. Its IUPAC name is 2-benzamido-N-(2-methylphenyl)-1,3-selenazole-5-carboxamide.

Molecular Properties

Compound Name2-benzamido-N-(2-methylphenyl)-1,3-selenazole-5-carboxamide
PubChem CID86344873
Molecular FormulaC18H15N3O2Se
Molecular Weight384.30 g/mol
Exact Mass385.03
IUPAC Name2-benzamido-N-(2-methylphenyl)-1,3-selenazole-5-carboxamide
SMILESCc1ccccc1NC(=O)c1cnc(NC(=O)c2ccccc2)[se]1
InChIInChI=1S/C18H15N3O2Se/c1-12-7-5-6-10-14(12)20-17(23)15-11-19-18(24-15)21-16(22)13-8-3-2-4-9-13/h2-11H,1H3,(H,20,23)(H,19,21,22)
InChIKeyOMBWQRGDLYCDFE-UHFFFAOYSA-N
XLogP2.95
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chlorobenzoyl)amino]-N-(2,4-dimethylphenyl)-1,3-selenazole-5-carboxamide
CID 155679922
N-(2-methylphenyl)-2-phenylpyrimidine-5-carboxamide
CID 47778991
ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide
CID 2599141
4-tert-butyl-N-(2-methylphenyl)benzamide
CID 139185103
4-N-(2,6-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049294
N-(2-methylphenyl)-3-phenoxybenzamide
CID 2097138
N-(2-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 158760114
3-N-butan-2-yl-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109051512
N-[(1S)-1-(2-methylanilino)-2-oxo-2-phenylethyl]benzamide
CID 765686
2-(methylamino)-N-(2-methylphenyl)pyridine-4-carboxamide
CID 55042330

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-(2-methylphenyl)-1,3-selenazole-5-carboxamide?
The IUPAC name of 2-benzamido-N-(2-methylphenyl)-1,3-selenazole-5-carboxamide (CID 86344873) is 2-benzamido-N-(2-methylphenyl)-1,3-selenazole-5-carboxamide.
What is the SMILES notation for 2-benzamido-N-(2-methylphenyl)-1,3-selenazole-5-carboxamide?
The canonical SMILES for 2-benzamido-N-(2-methylphenyl)-1,3-selenazole-5-carboxamide is Cc1ccccc1NC(=O)c1cnc(NC(=O)c2ccccc2)[se]1.
What is the InChIKey of 2-benzamido-N-(2-methylphenyl)-1,3-selenazole-5-carboxamide?
The InChIKey is OMBWQRGDLYCDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2Se/c1-12-7-5-6-10-14(12)20-17(23)15-11-19-18(24-15)21-16(22)13-8-3-2-4-9-13/h2-11H,1H3,(H,20,23)(H,19,21,22).
What are the key properties of 2-benzamido-N-(2-methylphenyl)-1,3-selenazole-5-carboxamide?
2-benzamido-N-(2-methylphenyl)-1,3-selenazole-5-carboxamide has a molecular weight of 384.30 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-(2-methylphenyl)-1,3-selenazole-5-carboxamide is sourced from PubChem (CID 86344873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).