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

C18H17ClN4O — CID 53168934

IUPAC2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cc1n[nH]c(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H17ClN4O/c1-12-4-2-3-5-15(12)20-18(24)11-17-21-16(22-23-17)10-13-6-8-14(19)9-7-13/h2-9H,10-11H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyYDMHQGXFYJBUPX-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.54
Rot. Bonds5

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

2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide (PubChem CID 53168934) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide
PubChem CID53168934
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cc1n[nH]c(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H17ClN4O/c1-12-4-2-3-5-15(12)20-18(24)11-17-21-16(22-23-17)10-13-6-8-14(19)9-7-13/h2-9H,10-11H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyYDMHQGXFYJBUPX-UHFFFAOYSA-N
XLogP3.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-benzyl-1H-1,2,4-triazol-3-yl)-N-(4-chlorophenyl)acetamide
CID 53168881
N-(2,3-dimethylphenyl)-2-[5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 53168975
2-(3,4-dichlorophenyl)-N-(2-methylphenyl)acetamide
CID 2599145
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 8963664
N-(4-methoxyphenyl)-2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 53168785
2-[4-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 55328206
2-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)acetamide
CID 56826552
4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 934733
2-[2-(4-chlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylphenyl)acetamide
CID 50750287
3-[(4-chlorophenyl)methylsulfanyl]-5-[(2-methylphenyl)methyl]-1H-1,2,4-triazole
CID 91679091
N-[2-[[2-(4-chlorophenyl)acetyl]amino]phenyl]butanamide
CID 975522
2-(1H-imidazol-5-yl)-N-(2-methylphenyl)acetamide
CID 110684137

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide (CID 53168934) is 2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)Cc1n[nH]c(Cc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is YDMHQGXFYJBUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-12-4-2-3-5-15(12)20-18(24)11-17-21-16(22-23-17)10-13-6-8-14(19)9-7-13/h2-9H,10-11H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of 2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide?
2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 340.81 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 53168934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).