2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide

C11H9Cl2FN4O — CID 9420730

IUPAC2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(Cl)nc2Cl)cc1F
InChIInChI=1S/C11H9Cl2FN4O/c1-6-2-3-7(4-8(6)14)15-9(19)5-18-11(13)16-10(12)17-18/h2-4H,5H2,1H3,(H,15,19)
InChIKeyCQYWZJHTWBYXHK-UHFFFAOYSA-N
MW303.12 g/mol
LogP2.67
Rot. Bonds3

About 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide

2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 9420730) has the molecular formula C11H9Cl2FN4O and a molecular weight of 303.12 g/mol. Its IUPAC name is 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID9420730
Molecular FormulaC11H9Cl2FN4O
Molecular Weight303.12 g/mol
Exact Mass302.01
IUPAC Name2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(Cl)nc2Cl)cc1F
InChIInChI=1S/C11H9Cl2FN4O/c1-6-2-3-7(4-8(6)14)15-9(19)5-18-11(13)16-10(12)17-18/h2-4H,5H2,1H3,(H,15,19)
InChIKeyCQYWZJHTWBYXHK-UHFFFAOYSA-N
XLogP2.67
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.12
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 9420775
N-(3,5-dichlorophenyl)-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide
CID 9420853
1-[2-(4-chloroanilino)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-5-methyltriazole-4-carboxamide
CID 53335050
N-(3-fluoro-4-methylphenyl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide
CID 7672344
1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-5-methyltriazole-4-carboxamide
CID 53335254
2-(4-bromopyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 47263262
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 90517725
2-(ethylamino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 60641239
N-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9210623
2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 16800195
2-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 53157360
5-amino-1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)triazole-4-carboxamide
CID 20923733

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide (CID 9420730) is 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2nc(Cl)nc2Cl)cc1F.
What is the InChIKey of 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is CQYWZJHTWBYXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2FN4O/c1-6-2-3-7(4-8(6)14)15-9(19)5-18-11(13)16-10(12)17-18/h2-4H,5H2,1H3,(H,15,19).
What are the key properties of 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide?
2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 303.12 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 9420730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).