N-[6-[4-(1,3-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-fluoro-5-phenacylbenzamide

C25H20F3N5O2 — CID 160687228

IUPACN-[6-[4-(1,3-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-fluoro-5-phenacylbenzamide
SMILESO=C(Cc1ccc(F)c(C(=O)Nc2cccc(-c3nncn3C(CF)CF)n2)c1)c1ccccc1
InChIInChI=1S/C25H20F3N5O2/c26-13-18(14-27)33-15-29-32-24(33)21-7-4-8-23(30-21)31-25(35)19-11-16(9-10-20(19)28)12-22(34)17-5-2-1-3-6-17/h1-11,15,18H,12-14H2,(H,30,31,35)
InChIKeyVVMLRNMRXSKYHF-UHFFFAOYSA-N
MW479.46 g/mol
LogP4.64
Rot. Bonds9

About N-[6-[4-(1,3-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-fluoro-5-phenacylbenzamide

N-[6-[4-(1,3-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-fluoro-5-phenacylbenzamide (PubChem CID 160687228) has the molecular formula C25H20F3N5O2 and a molecular weight of 479.46 g/mol. Its IUPAC name is N-[6-[4-(1,3-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-fluoro-5-phenacylbenzamide.

Molecular Properties

Compound NameN-[6-[4-(1,3-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-fluoro-5-phenacylbenzamide
PubChem CID160687228
Molecular FormulaC25H20F3N5O2
Molecular Weight479.46 g/mol
Exact Mass479.16
IUPAC NameN-[6-[4-(1,3-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-fluoro-5-phenacylbenzamide
SMILESO=C(Cc1ccc(F)c(C(=O)Nc2cccc(-c3nncn3C(CF)CF)n2)c1)c1ccccc1
InChIInChI=1S/C25H20F3N5O2/c26-13-18(14-27)33-15-29-32-24(33)21-7-4-8-23(30-21)31-25(35)19-11-16(9-10-20(19)28)12-22(34)17-5-2-1-3-6-17/h1-11,15,18H,12-14H2,(H,30,31,35)
InChIKeyVVMLRNMRXSKYHF-UHFFFAOYSA-N
XLogP4.64
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.46
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-[4-(1,3-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-fluoro-5-phenacylbenzamide 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-[6-[4-(1,3-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-fluoro-5-phenacylbenzamide?
The IUPAC name of N-[6-[4-(1,3-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-fluoro-5-phenacylbenzamide (CID 160687228) is N-[6-[4-(1,3-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-fluoro-5-phenacylbenzamide.
What is the SMILES notation for N-[6-[4-(1,3-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-fluoro-5-phenacylbenzamide?
The canonical SMILES for N-[6-[4-(1,3-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-fluoro-5-phenacylbenzamide is O=C(Cc1ccc(F)c(C(=O)Nc2cccc(-c3nncn3C(CF)CF)n2)c1)c1ccccc1.
What is the InChIKey of N-[6-[4-(1,3-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-fluoro-5-phenacylbenzamide?
The InChIKey is VVMLRNMRXSKYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N5O2/c26-13-18(14-27)33-15-29-32-24(33)21-7-4-8-23(30-21)31-25(35)19-11-16(9-10-20(19)28)12-22(34)17-5-2-1-3-6-17/h1-11,15,18H,12-14H2,(H,30,31,35).
What are the key properties of N-[6-[4-(1,3-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-fluoro-5-phenacylbenzamide?
N-[6-[4-(1,3-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-fluoro-5-phenacylbenzamide has a molecular weight of 479.46 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(1,3-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-fluoro-5-phenacylbenzamide is sourced from PubChem (CID 160687228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).