N-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide

C20H20F2N4O2 — CID 15457287

IUPACN-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide
SMILESCc1cccc(-n2ncn(C(=O)N(c3ccc(F)cc3F)C(C)C)c2=O)c1C
InChIInChI=1S/C20H20F2N4O2/c1-12(2)25(18-9-8-15(21)10-16(18)22)19(27)24-11-23-26(20(24)28)17-7-5-6-13(3)14(17)4/h5-12H,1-4H3
InChIKeyYMDJQKLEDZUQAK-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.81
Rot. Bonds3

About N-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide

N-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide (PubChem CID 15457287) has the molecular formula C20H20F2N4O2 and a molecular weight of 386.40 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide
PubChem CID15457287
Molecular FormulaC20H20F2N4O2
Molecular Weight386.40 g/mol
Exact Mass386.16
IUPAC NameN-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide
SMILESCc1cccc(-n2ncn(C(=O)N(c3ccc(F)cc3F)C(C)C)c2=O)c1C
InChIInChI=1S/C20H20F2N4O2/c1-12(2)25(18-9-8-15(21)10-16(18)22)19(27)24-11-23-26(20(24)28)17-7-5-6-13(3)14(17)4/h5-12H,1-4H3
InChIKeyYMDJQKLEDZUQAK-UHFFFAOYSA-N
XLogP3.81
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-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-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide (CID 15457287) is N-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide is Cc1cccc(-n2ncn(C(=O)N(c3ccc(F)cc3F)C(C)C)c2=O)c1C.
What is the InChIKey of N-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
The InChIKey is YMDJQKLEDZUQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O2/c1-12(2)25(18-9-8-15(21)10-16(18)22)19(27)24-11-23-26(20(24)28)17-7-5-6-13(3)14(17)4/h5-12H,1-4H3.
What are the key properties of N-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
N-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide has a molecular weight of 386.40 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide is sourced from PubChem (CID 15457287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).