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

C17H14ClFN4O — CID 53168985

IUPACN-(4-chlorophenyl)-2-[5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
SMILESO=C(Cc1n[nH]c(Cc2ccccc2F)n1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H14ClFN4O/c18-12-5-7-13(8-6-12)20-17(24)10-16-21-15(22-23-16)9-11-3-1-2-4-14(11)19/h1-8H,9-10H2,(H,20,24)(H,21,22,23)
InChIKeyODCUDUOMNTXLMJ-UHFFFAOYSA-N
MW344.78 g/mol
LogP3.37
Rot. Bonds5

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

N-(4-chlorophenyl)-2-[5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 53168985) has the molecular formula C17H14ClFN4O and a molecular weight of 344.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID53168985
Molecular FormulaC17H14ClFN4O
Molecular Weight344.78 g/mol
Exact Mass344.08
IUPAC NameN-(4-chlorophenyl)-2-[5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
SMILESO=C(Cc1n[nH]c(Cc2ccccc2F)n1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H14ClFN4O/c18-12-5-7-13(8-6-12)20-17(24)10-16-21-15(22-23-16)9-11-3-1-2-4-14(11)19/h1-8H,9-10H2,(H,20,24)(H,21,22,23)
InChIKeyODCUDUOMNTXLMJ-UHFFFAOYSA-N
XLogP3.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.78
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide (CID 53168985) is N-(4-chlorophenyl)-2-[5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide is O=C(Cc1n[nH]c(Cc2ccccc2F)n1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is ODCUDUOMNTXLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O/c18-12-5-7-13(8-6-12)20-17(24)10-16-21-15(22-23-16)9-11-3-1-2-4-14(11)19/h1-8H,9-10H2,(H,20,24)(H,21,22,23).
What are the key properties of N-(4-chlorophenyl)-2-[5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide?
N-(4-chlorophenyl)-2-[5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 344.78 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 53168985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).