N-[4-fluoro-2-(2-fluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide

C17H15F2N5O — CID 75520222

IUPACN-[4-fluoro-2-(2-fluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1Nc1ccccc1F)n1cncn1
InChIInChI=1S/C17H15F2N5O/c1-11(24-10-20-9-21-24)17(25)23-15-7-6-12(18)8-16(15)22-14-5-3-2-4-13(14)19/h2-11,22H,1H3,(H,23,25)
InChIKeyUCORMGRRKSXHHO-UHFFFAOYSA-N
MW343.34 g/mol
LogP3.50
Rot. Bonds5

About N-[4-fluoro-2-(2-fluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide

N-[4-fluoro-2-(2-fluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 75520222) has the molecular formula C17H15F2N5O and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[4-fluoro-2-(2-fluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(2-fluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID75520222
Molecular FormulaC17H15F2N5O
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-[4-fluoro-2-(2-fluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1Nc1ccccc1F)n1cncn1
InChIInChI=1S/C17H15F2N5O/c1-11(24-10-20-9-21-24)17(25)23-15-7-6-12(18)8-16(15)22-14-5-3-2-4-13(14)19/h2-11,22H,1H3,(H,23,25)
InChIKeyUCORMGRRKSXHHO-UHFFFAOYSA-N
XLogP3.50
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(2-fluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[4-fluoro-2-(2-fluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 75520222) is N-[4-fluoro-2-(2-fluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[4-fluoro-2-(2-fluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[4-fluoro-2-(2-fluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)Nc1ccc(F)cc1Nc1ccccc1F)n1cncn1.
What is the InChIKey of N-[4-fluoro-2-(2-fluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is UCORMGRRKSXHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O/c1-11(24-10-20-9-21-24)17(25)23-15-7-6-12(18)8-16(15)22-14-5-3-2-4-13(14)19/h2-11,22H,1H3,(H,23,25).
What are the key properties of N-[4-fluoro-2-(2-fluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
N-[4-fluoro-2-(2-fluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 343.34 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(2-fluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 75520222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).