2-Methyl-seleno-benzanilide

C14H12NSe — CID 21155417

IUPAC—
SMILESCc1ccccc1/C([Se])=N/c1ccccc1
InChIInChI=1S/C14H12NSe/c1-11-7-5-6-10-13(11)14(16)15-12-8-3-2-4-9-12/h2-10H,1H3/b15-14-
InChIKeyDBLWLVGGZWANLI-PFONDFGASA-N
MW273.22 g/mol
LogP3.24
Rot. Bonds2

About 2-Methyl-seleno-benzanilide

2-Methyl-seleno-benzanilide (PubChem CID 21155417) has the molecular formula C14H12NSe and a molecular weight of 273.22 g/mol.

Molecular Properties

Compound Name2-Methyl-seleno-benzanilide
PubChem CID21155417
Molecular FormulaC14H12NSe
Molecular Weight273.22 g/mol
Exact Mass274.01
IUPAC Name—
SMILESCc1ccccc1/C([Se])=N/c1ccccc1
InChIInChI=1S/C14H12NSe/c1-11-7-5-6-10-13(11)14(16)15-12-8-3-2-4-9-12/h2-10H,1H3/b15-14-
InChIKeyDBLWLVGGZWANLI-PFONDFGASA-N
XLogP3.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4'-Hydroxy-2-methylselenobenzanilide
CID 88700972
ethyl 2-methyl-N-phenylbenzenecarboximidothioate
CID 134550826
CID 19881371
CID 19881371
CID 19881367
CID 19881367
bis(2-methylbenzoic acid);hydrate
CID 69398343
iron;2-methylbenzoic acid
CID 174483135
2-N,3-N-diphenylbutane-2,3-diimine;dihydrochloride
CID 172723144
(NE)-N-[(2-methylphenyl)-phenylmethylidene]hydroxylamine
CID 12003652
CID 13239389
CID 13239389
N'-[(Z)-[amino-(2-methylphenyl)methylidene]amino]-2-methylbenzenecarboximidamide
CID 145320912
benzene;1,2-xylene
CID 161464493
N'-(4-acetylphenyl)-2-methylbenzenecarboximidamide
CID 102311054

Frequently Asked Questions

What is the IUPAC name of 2-Methyl-seleno-benzanilide?
The IUPAC name of 2-Methyl-seleno-benzanilide (CID 21155417) is not available.
What is the SMILES notation for 2-Methyl-seleno-benzanilide?
The canonical SMILES for 2-Methyl-seleno-benzanilide is Cc1ccccc1/C([Se])=N/c1ccccc1.
What is the InChIKey of 2-Methyl-seleno-benzanilide?
The InChIKey is DBLWLVGGZWANLI-PFONDFGASA-N. The full InChI is InChI=1S/C14H12NSe/c1-11-7-5-6-10-13(11)14(16)15-12-8-3-2-4-9-12/h2-10H,1H3/b15-14-.
What are the key properties of 2-Methyl-seleno-benzanilide?
2-Methyl-seleno-benzanilide has a molecular weight of 273.22 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Methyl-seleno-benzanilide is sourced from PubChem (CID 21155417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).