2-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide

C10H8ClFN4O — CID 60809987

IUPAC2-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(-n2cncn2)c(F)c1
InChIInChI=1S/C10H8ClFN4O/c11-4-10(17)15-7-1-2-9(8(12)3-7)16-6-13-5-14-16/h1-3,5-6H,4H2,(H,15,17)
InChIKeyFCGUDVKAYOMGIN-UHFFFAOYSA-N
MW254.65 g/mol
LogP1.58
Rot. Bonds3

About 2-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide

2-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide (PubChem CID 60809987) has the molecular formula C10H8ClFN4O and a molecular weight of 254.65 g/mol. Its IUPAC name is 2-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide
PubChem CID60809987
Molecular FormulaC10H8ClFN4O
Molecular Weight254.65 g/mol
Exact Mass254.04
IUPAC Name2-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(-n2cncn2)c(F)c1
InChIInChI=1S/C10H8ClFN4O/c11-4-10(17)15-7-1-2-9(8(12)3-7)16-6-13-5-14-16/h1-3,5-6H,4H2,(H,15,17)
InChIKeyFCGUDVKAYOMGIN-UHFFFAOYSA-N
XLogP1.58
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide (CID 60809987) is 2-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide is O=C(CCl)Nc1ccc(-n2cncn2)c(F)c1.
What is the InChIKey of 2-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide?
The InChIKey is FCGUDVKAYOMGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4O/c11-4-10(17)15-7-1-2-9(8(12)3-7)16-6-13-5-14-16/h1-3,5-6H,4H2,(H,15,17).
What are the key properties of 2-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide?
2-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide has a molecular weight of 254.65 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 60809987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).