2-(3-chloro-4-fluorophenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide

C15H11ClFN5O — CID 11537271

IUPAC2-(3-chloro-4-fluorophenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESO=C(Cc1ccc(F)c(Cl)c1)Nc1n[nH]c(-c2ccncc2)n1
InChIInChI=1S/C15H11ClFN5O/c16-11-7-9(1-2-12(11)17)8-13(23)19-15-20-14(21-22-15)10-3-5-18-6-4-10/h1-7H,8H2,(H2,19,20,21,22,23)
InChIKeyAVKOQSHKVPEWCT-UHFFFAOYSA-N
MW331.74 g/mol
LogP2.84
Rot. Bonds4

About 2-(3-chloro-4-fluorophenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide

2-(3-chloro-4-fluorophenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide (PubChem CID 11537271) has the molecular formula C15H11ClFN5O and a molecular weight of 331.74 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide
PubChem CID11537271
Molecular FormulaC15H11ClFN5O
Molecular Weight331.74 g/mol
Exact Mass331.06
IUPAC Name2-(3-chloro-4-fluorophenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESO=C(Cc1ccc(F)c(Cl)c1)Nc1n[nH]c(-c2ccncc2)n1
InChIInChI=1S/C15H11ClFN5O/c16-11-7-9(1-2-12(11)17)8-13(23)19-15-20-14(21-22-15)10-3-5-18-6-4-10/h1-7H,8H2,(H2,19,20,21,22,23)
InChIKeyAVKOQSHKVPEWCT-UHFFFAOYSA-N
XLogP2.84
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.74
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide (CID 11537271) is 2-(3-chloro-4-fluorophenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide is O=C(Cc1ccc(F)c(Cl)c1)Nc1n[nH]c(-c2ccncc2)n1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide?
The InChIKey is AVKOQSHKVPEWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN5O/c16-11-7-9(1-2-12(11)17)8-13(23)19-15-20-14(21-22-15)10-3-5-18-6-4-10/h1-7H,8H2,(H2,19,20,21,22,23).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide?
2-(3-chloro-4-fluorophenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide has a molecular weight of 331.74 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 11537271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).