benzyl N-[[2-[6-[(2,4-difluorophenyl)methylcarbamoyl]-2-pyridinyl]phenyl]methyl]carbamate

C28H23F2N3O3 — CID 10184725

IUPACbenzyl N-[[2-[6-[(2,4-difluorophenyl)methylcarbamoyl]-2-pyridinyl]phenyl]methyl]carbamate
SMILESO=C(NCc1ccccc1-c1cccc(C(=O)NCc2ccc(F)cc2F)n1)OCc1ccccc1
InChIInChI=1S/C28H23F2N3O3/c29-22-14-13-21(24(30)15-22)17-31-27(34)26-12-6-11-25(33-26)23-10-5-4-9-20(23)16-32-28(35)36-18-19-7-2-1-3-8-19/h1-15H,16-18H2,(H,31,34)(H,32,35)
InChIKeyZKWJHRFLYPMSJJ-UHFFFAOYSA-N
MW487.51 g/mol
LogP5.38
Rot. Bonds8

About benzyl N-[[2-[6-[(2,4-difluorophenyl)methylcarbamoyl]-2-pyridinyl]phenyl]methyl]carbamate

benzyl N-[[2-[6-[(2,4-difluorophenyl)methylcarbamoyl]-2-pyridinyl]phenyl]methyl]carbamate (PubChem CID 10184725) has the molecular formula C28H23F2N3O3 and a molecular weight of 487.51 g/mol. Its IUPAC name is benzyl N-[[2-[6-[(2,4-difluorophenyl)methylcarbamoyl]-2-pyridinyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[2-[6-[(2,4-difluorophenyl)methylcarbamoyl]-2-pyridinyl]phenyl]methyl]carbamate
PubChem CID10184725
Molecular FormulaC28H23F2N3O3
Molecular Weight487.51 g/mol
Exact Mass487.17
IUPAC Namebenzyl N-[[2-[6-[(2,4-difluorophenyl)methylcarbamoyl]-2-pyridinyl]phenyl]methyl]carbamate
SMILESO=C(NCc1ccccc1-c1cccc(C(=O)NCc2ccc(F)cc2F)n1)OCc1ccccc1
InChIInChI=1S/C28H23F2N3O3/c29-22-14-13-21(24(30)15-22)17-31-27(34)26-12-6-11-25(33-26)23-10-5-4-9-20(23)16-32-28(35)36-18-19-7-2-1-3-8-19/h1-15H,16-18H2,(H,31,34)(H,32,35)
InChIKeyZKWJHRFLYPMSJJ-UHFFFAOYSA-N
XLogP5.38
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.51
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzyl N-[[2-[6-[(2,4-difluorophenyl)methylcarbamoyl]-2-pyridinyl]phenyl]methyl]carbamate 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 benzyl N-[[2-[6-[(2,4-difluorophenyl)methylcarbamoyl]-2-pyridinyl]phenyl]methyl]carbamate?
The IUPAC name of benzyl N-[[2-[6-[(2,4-difluorophenyl)methylcarbamoyl]-2-pyridinyl]phenyl]methyl]carbamate (CID 10184725) is benzyl N-[[2-[6-[(2,4-difluorophenyl)methylcarbamoyl]-2-pyridinyl]phenyl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[2-[6-[(2,4-difluorophenyl)methylcarbamoyl]-2-pyridinyl]phenyl]methyl]carbamate?
The canonical SMILES for benzyl N-[[2-[6-[(2,4-difluorophenyl)methylcarbamoyl]-2-pyridinyl]phenyl]methyl]carbamate is O=C(NCc1ccccc1-c1cccc(C(=O)NCc2ccc(F)cc2F)n1)OCc1ccccc1.
What is the InChIKey of benzyl N-[[2-[6-[(2,4-difluorophenyl)methylcarbamoyl]-2-pyridinyl]phenyl]methyl]carbamate?
The InChIKey is ZKWJHRFLYPMSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F2N3O3/c29-22-14-13-21(24(30)15-22)17-31-27(34)26-12-6-11-25(33-26)23-10-5-4-9-20(23)16-32-28(35)36-18-19-7-2-1-3-8-19/h1-15H,16-18H2,(H,31,34)(H,32,35).
What are the key properties of benzyl N-[[2-[6-[(2,4-difluorophenyl)methylcarbamoyl]-2-pyridinyl]phenyl]methyl]carbamate?
benzyl N-[[2-[6-[(2,4-difluorophenyl)methylcarbamoyl]-2-pyridinyl]phenyl]methyl]carbamate has a molecular weight of 487.51 g/mol, XLogP of 5.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[2-[6-[(2,4-difluorophenyl)methylcarbamoyl]-2-pyridinyl]phenyl]methyl]carbamate is sourced from PubChem (CID 10184725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).