N-(2,3-dimethylphenyl)-2-[5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide

C19H19FN4O — CID 53168975

IUPACN-(2,3-dimethylphenyl)-2-[5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
SMILESCc1cccc(NC(=O)Cc2n[nH]c(Cc3ccccc3F)n2)c1C
InChIInChI=1S/C19H19FN4O/c1-12-6-5-9-16(13(12)2)21-19(25)11-18-22-17(23-24-18)10-14-7-3-4-8-15(14)20/h3-9H,10-11H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyRTYTVLQXBMAZCJ-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.33
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-[5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide

N-(2,3-dimethylphenyl)-2-[5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 53168975) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID53168975
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC NameN-(2,3-dimethylphenyl)-2-[5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
SMILESCc1cccc(NC(=O)Cc2n[nH]c(Cc3ccccc3F)n2)c1C
InChIInChI=1S/C19H19FN4O/c1-12-6-5-9-16(13(12)2)21-19(25)11-18-22-17(23-24-18)10-14-7-3-4-8-15(14)20/h3-9H,10-11H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyRTYTVLQXBMAZCJ-UHFFFAOYSA-N
XLogP3.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499379
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N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 8503634
N-(3-chloro-2-methylphenyl)-2-(2-fluorophenyl)acetamide
CID 2671408
N-(2,3-dimethylphenyl)-2-(2-methylsulfonylphenyl)acetamide
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2-[2-(aminomethyl)phenyl]-N-(2,3-dimethylphenyl)acetamide
CID 81317941
2-(2-aminophenyl)-N-(2,3-dimethylphenyl)acetamide
CID 16794842
N-(2,3-dimethylphenyl)-2-[[2-(2-fluorophenoxy)acetyl]amino]acetamide
CID 7501086
cyclopropyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium
CID 8977593
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113017295
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(2,3-dimethylphenyl)-2-pyridin-2-ylacetamide
CID 110696972

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide (CID 53168975) is N-(2,3-dimethylphenyl)-2-[5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide is Cc1cccc(NC(=O)Cc2n[nH]c(Cc3ccccc3F)n2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is RTYTVLQXBMAZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-12-6-5-9-16(13(12)2)21-19(25)11-18-22-17(23-24-18)10-14-7-3-4-8-15(14)20/h3-9H,10-11H2,1-2H3,(H,21,25)(H,22,23,24).
What are the key properties of N-(2,3-dimethylphenyl)-2-[5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 338.39 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 53168975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).