2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-[6-[(methylcarbamoylamino)methyl]-3-pyridinyl]phenyl]propan-2-yl]acetamide

C19H21F3N4O3 — CID 123542134

About 2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-[6-[(methylcarbamoylamino)methyl]-3-pyridinyl]phenyl]propan-2-yl]acetamide

2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-[6-[(methylcarbamoylamino)methyl]-3-pyridinyl]phenyl]propan-2-yl]acetamide (PubChem CID 123542134) has the molecular formula C19H21F3N4O3 and a molecular weight of 410.40 g/mol. Its IUPAC name is 2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-[6-[(methylcarbamoylamino)methyl]-3-pyridinyl]phenyl]propan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-[6-[(methylcarbamoylamino)methyl]-3-pyridinyl]phenyl]propan-2-yl]acetamide
• PubChem CID: 123542134
• Molecular Formula: C19H21F3N4O3
• Molecular Weight: 410.40 g/mol
• Exact Mass: 410.16
• IUPAC Name: 2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-[6-[(methylcarbamoylamino)methyl]-3-pyridinyl]phenyl]propan-2-yl]acetamide
• SMILES: CNC(=O)NCc1ccc(-c2ccc(C(O)C(CF)NC(=O)C(F)F)cc2)cn1
• InChI: InChI=1S/C19H21F3N4O3/c1-23-19(29)25-10-14-7-6-13(9-24-14)11-2-4-12(5-3-11)16(27)15(8-20)26-18(28)17(21)22/h2-7,9,15-17,27H,8,10H2,1H3,(H,26,28)(H2,23,25,29)
• InChIKey: SRLLCUYZTWUNNP-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 103.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.40
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-[6-[(methylcarbamoylamino)methyl]-3-pyridinyl]phenyl]propan-2-yl]acetamide?

The IUPAC name of 2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-[6-[(methylcarbamoylamino)methyl]-3-pyridinyl]phenyl]propan-2-yl]acetamide (CID 123542134) is 2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-[6-[(methylcarbamoylamino)methyl]-3-pyridinyl]phenyl]propan-2-yl]acetamide.

What is the SMILES notation for 2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-[6-[(methylcarbamoylamino)methyl]-3-pyridinyl]phenyl]propan-2-yl]acetamide?

The canonical SMILES for 2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-[6-[(methylcarbamoylamino)methyl]-3-pyridinyl]phenyl]propan-2-yl]acetamide is CNC(=O)NCc1ccc(-c2ccc(C(O)C(CF)NC(=O)C(F)F)cc2)cn1.

What is the InChIKey of 2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-[6-[(methylcarbamoylamino)methyl]-3-pyridinyl]phenyl]propan-2-yl]acetamide?

The InChIKey is SRLLCUYZTWUNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3/c1-23-19(29)25-10-14-7-6-13(9-24-14)11-2-4-12(5-3-11)16(27)15(8-20)26-18(28)17(21)22/h2-7,9,15-17,27H,8,10H2,1H3,(H,26,28)(H2,23,25,29).

What are the key properties of 2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-[6-[(methylcarbamoylamino)methyl]-3-pyridinyl]phenyl]propan-2-yl]acetamide?

2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-[6-[(methylcarbamoylamino)methyl]-3-pyridinyl]phenyl]propan-2-yl]acetamide has a molecular weight of 410.40 g/mol, XLogP of 1.93, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-[6-[(methylcarbamoylamino)methyl]-3-pyridinyl]phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 123542134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).