tert-butyl N-[1-[5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]anilino]-1-oxopropan-2-yl]carbamate

C19H22F2N4O3 — CID 67433468

About tert-butyl N-[1-[5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]anilino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-[5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]anilino]-1-oxopropan-2-yl]carbamate (PubChem CID 67433468) has the molecular formula C19H22F2N4O3 and a molecular weight of 392.41 g/mol. Its IUPAC name is tert-butyl N-[1-[5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]anilino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]anilino]-1-oxopropan-2-yl]carbamate
• PubChem CID: 67433468
• Molecular Formula: C19H22F2N4O3
• Molecular Weight: 392.41 g/mol
• Exact Mass: 392.17
• IUPAC Name: tert-butyl N-[1-[5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]anilino]-1-oxopropan-2-yl]carbamate
• SMILES: CC(NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)ccc1Nc1cncc(F)c1
• InChI: InChI=1S/C19H22F2N4O3/c1-11(23-18(27)28-19(2,3)4)17(26)25-16-8-12(20)5-6-15(16)24-14-7-13(21)9-22-10-14/h5-11,24H,1-4H3,(H,23,27)(H,25,26)
• InChIKey: GPYLMCSLQBWDMP-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 92.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.41
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]anilino]-1-oxopropan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[1-[5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]anilino]-1-oxopropan-2-yl]carbamate (CID 67433468) is tert-butyl N-[1-[5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]anilino]-1-oxopropan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[1-[5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]anilino]-1-oxopropan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[1-[5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]anilino]-1-oxopropan-2-yl]carbamate is CC(NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)ccc1Nc1cncc(F)c1.

What is the InChIKey of tert-butyl N-[1-[5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]anilino]-1-oxopropan-2-yl]carbamate?

The InChIKey is GPYLMCSLQBWDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O3/c1-11(23-18(27)28-19(2,3)4)17(26)25-16-8-12(20)5-6-15(16)24-14-7-13(21)9-22-10-14/h5-11,24H,1-4H3,(H,23,27)(H,25,26).

What are the key properties of tert-butyl N-[1-[5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]anilino]-1-oxopropan-2-yl]carbamate?

tert-butyl N-[1-[5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]anilino]-1-oxopropan-2-yl]carbamate has a molecular weight of 392.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]anilino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 67433468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).