2-[(4-chlorobenzoyl)amino]-N-(2,4-dimethylphenyl)-1,3-selenazole-5-carboxamide

C19H16ClN3O2Se — CID 155679922

IUPAC2-[(4-chlorobenzoyl)amino]-N-(2,4-dimethylphenyl)-1,3-selenazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(NC(=O)c3ccc(Cl)cc3)[se]2)c(C)c1
InChIInChI=1S/C19H16ClN3O2Se/c1-11-3-8-15(12(2)9-11)22-18(25)16-10-21-19(26-16)23-17(24)13-4-6-14(20)7-5-13/h3-10H,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyZUGQWVIPHOQASC-UHFFFAOYSA-N
MW432.77 g/mol
LogP3.91
Rot. Bonds4

About 2-[(4-chlorobenzoyl)amino]-N-(2,4-dimethylphenyl)-1,3-selenazole-5-carboxamide

2-[(4-chlorobenzoyl)amino]-N-(2,4-dimethylphenyl)-1,3-selenazole-5-carboxamide (PubChem CID 155679922) has the molecular formula C19H16ClN3O2Se and a molecular weight of 432.77 g/mol. Its IUPAC name is 2-[(4-chlorobenzoyl)amino]-N-(2,4-dimethylphenyl)-1,3-selenazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorobenzoyl)amino]-N-(2,4-dimethylphenyl)-1,3-selenazole-5-carboxamide
PubChem CID155679922
Molecular FormulaC19H16ClN3O2Se
Molecular Weight432.77 g/mol
Exact Mass433.01
IUPAC Name2-[(4-chlorobenzoyl)amino]-N-(2,4-dimethylphenyl)-1,3-selenazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(NC(=O)c3ccc(Cl)cc3)[se]2)c(C)c1
InChIInChI=1S/C19H16ClN3O2Se/c1-11-3-8-15(12(2)9-11)22-18(25)16-10-21-19(26-16)23-17(24)13-4-6-14(20)7-5-13/h3-10H,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyZUGQWVIPHOQASC-UHFFFAOYSA-N
XLogP3.91
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.77
LogP ≤ 53.91
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-benzamido-N-(2-methylphenyl)-1,3-selenazole-5-carboxamide
CID 86344873
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
1-N-(2,4-dimethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043157
4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
CID 27042156
2-(2,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266433
4-amino-N-(2,4-dimethylphenyl)benzamide
CID 835597
N-(4-chloro-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 18148116
N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide
CID 1365594
3-amino-4-chloro-N-(2,4-dimethylphenyl)benzamide
CID 16782790
6-(4-chloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356798
6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427229
2-(3,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266432

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorobenzoyl)amino]-N-(2,4-dimethylphenyl)-1,3-selenazole-5-carboxamide?
The IUPAC name of 2-[(4-chlorobenzoyl)amino]-N-(2,4-dimethylphenyl)-1,3-selenazole-5-carboxamide (CID 155679922) is 2-[(4-chlorobenzoyl)amino]-N-(2,4-dimethylphenyl)-1,3-selenazole-5-carboxamide.
What is the SMILES notation for 2-[(4-chlorobenzoyl)amino]-N-(2,4-dimethylphenyl)-1,3-selenazole-5-carboxamide?
The canonical SMILES for 2-[(4-chlorobenzoyl)amino]-N-(2,4-dimethylphenyl)-1,3-selenazole-5-carboxamide is Cc1ccc(NC(=O)c2cnc(NC(=O)c3ccc(Cl)cc3)[se]2)c(C)c1.
What is the InChIKey of 2-[(4-chlorobenzoyl)amino]-N-(2,4-dimethylphenyl)-1,3-selenazole-5-carboxamide?
The InChIKey is ZUGQWVIPHOQASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2Se/c1-11-3-8-15(12(2)9-11)22-18(25)16-10-21-19(26-16)23-17(24)13-4-6-14(20)7-5-13/h3-10H,1-2H3,(H,22,25)(H,21,23,24).
What are the key properties of 2-[(4-chlorobenzoyl)amino]-N-(2,4-dimethylphenyl)-1,3-selenazole-5-carboxamide?
2-[(4-chlorobenzoyl)amino]-N-(2,4-dimethylphenyl)-1,3-selenazole-5-carboxamide has a molecular weight of 432.77 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorobenzoyl)amino]-N-(2,4-dimethylphenyl)-1,3-selenazole-5-carboxamide is sourced from PubChem (CID 155679922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).