N-(3-chloro-2-fluorophenyl)-1-phenyl-5-pyridin-2-yltriazole-4-carboxamide

C20H13ClFN5O — CID 71793896

IUPACN-(3-chloro-2-fluorophenyl)-1-phenyl-5-pyridin-2-yltriazole-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1F)c1nnn(-c2ccccc2)c1-c1ccccn1
InChIInChI=1S/C20H13ClFN5O/c21-14-9-6-11-15(17(14)22)24-20(28)18-19(16-10-4-5-12-23-16)27(26-25-18)13-7-2-1-3-8-13/h1-12H,(H,24,28)
InChIKeyMIGCSBGKVAMENU-UHFFFAOYSA-N
MW393.81 g/mol
LogP4.37
Rot. Bonds4

About N-(3-chloro-2-fluorophenyl)-1-phenyl-5-pyridin-2-yltriazole-4-carboxamide

N-(3-chloro-2-fluorophenyl)-1-phenyl-5-pyridin-2-yltriazole-4-carboxamide (PubChem CID 71793896) has the molecular formula C20H13ClFN5O and a molecular weight of 393.81 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-1-phenyl-5-pyridin-2-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-1-phenyl-5-pyridin-2-yltriazole-4-carboxamide
PubChem CID71793896
Molecular FormulaC20H13ClFN5O
Molecular Weight393.81 g/mol
Exact Mass393.08
IUPAC NameN-(3-chloro-2-fluorophenyl)-1-phenyl-5-pyridin-2-yltriazole-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1F)c1nnn(-c2ccccc2)c1-c1ccccn1
InChIInChI=1S/C20H13ClFN5O/c21-14-9-6-11-15(17(14)22)24-20(28)18-19(16-10-4-5-12-23-16)27(26-25-18)13-7-2-1-3-8-13/h1-12H,(H,24,28)
InChIKeyMIGCSBGKVAMENU-UHFFFAOYSA-N
XLogP4.37
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.81
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-2-fluorophenyl)-1-phenyl-5-pyridin-2-yltriazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-1-phenyl-5-pyridin-2-yltriazole-4-carboxamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-1-phenyl-5-pyridin-2-yltriazole-4-carboxamide (CID 71793896) is N-(3-chloro-2-fluorophenyl)-1-phenyl-5-pyridin-2-yltriazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-1-phenyl-5-pyridin-2-yltriazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-1-phenyl-5-pyridin-2-yltriazole-4-carboxamide is O=C(Nc1cccc(Cl)c1F)c1nnn(-c2ccccc2)c1-c1ccccn1.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-1-phenyl-5-pyridin-2-yltriazole-4-carboxamide?
The InChIKey is MIGCSBGKVAMENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN5O/c21-14-9-6-11-15(17(14)22)24-20(28)18-19(16-10-4-5-12-23-16)27(26-25-18)13-7-2-1-3-8-13/h1-12H,(H,24,28).
What are the key properties of N-(3-chloro-2-fluorophenyl)-1-phenyl-5-pyridin-2-yltriazole-4-carboxamide?
N-(3-chloro-2-fluorophenyl)-1-phenyl-5-pyridin-2-yltriazole-4-carboxamide has a molecular weight of 393.81 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-1-phenyl-5-pyridin-2-yltriazole-4-carboxamide is sourced from PubChem (CID 71793896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).