N-[1-(2,3-difluorophenyl)-2-fluoro-1-[5-(hydroxymethyl)-2-pyridinyl]ethyl]acetamide

C16H15F3N2O2 — CID 67067998

IUPACN-[1-(2,3-difluorophenyl)-2-fluoro-1-[5-(hydroxymethyl)-2-pyridinyl]ethyl]acetamide
SMILESCC(=O)NC(CF)(c1ccc(CO)cn1)c1cccc(F)c1F
InChIInChI=1S/C16H15F3N2O2/c1-10(23)21-16(9-17,12-3-2-4-13(18)15(12)19)14-6-5-11(8-22)7-20-14/h2-7,22H,8-9H2,1H3,(H,21,23)
InChIKeyKHIICAKCTCMXGR-UHFFFAOYSA-N
MW324.30 g/mol
LogP2.20
Rot. Bonds5

About N-[1-(2,3-difluorophenyl)-2-fluoro-1-[5-(hydroxymethyl)-2-pyridinyl]ethyl]acetamide

N-[1-(2,3-difluorophenyl)-2-fluoro-1-[5-(hydroxymethyl)-2-pyridinyl]ethyl]acetamide (PubChem CID 67067998) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is N-[1-(2,3-difluorophenyl)-2-fluoro-1-[5-(hydroxymethyl)-2-pyridinyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(2,3-difluorophenyl)-2-fluoro-1-[5-(hydroxymethyl)-2-pyridinyl]ethyl]acetamide
PubChem CID67067998
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC NameN-[1-(2,3-difluorophenyl)-2-fluoro-1-[5-(hydroxymethyl)-2-pyridinyl]ethyl]acetamide
SMILESCC(=O)NC(CF)(c1ccc(CO)cn1)c1cccc(F)c1F
InChIInChI=1S/C16H15F3N2O2/c1-10(23)21-16(9-17,12-3-2-4-13(18)15(12)19)14-6-5-11(8-22)7-20-14/h2-7,22H,8-9H2,1H3,(H,21,23)
InChIKeyKHIICAKCTCMXGR-UHFFFAOYSA-N
XLogP2.20
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-difluorophenyl)-2-fluoro-1-[5-(hydroxymethyl)-2-pyridinyl]ethyl]acetamide?
The IUPAC name of N-[1-(2,3-difluorophenyl)-2-fluoro-1-[5-(hydroxymethyl)-2-pyridinyl]ethyl]acetamide (CID 67067998) is N-[1-(2,3-difluorophenyl)-2-fluoro-1-[5-(hydroxymethyl)-2-pyridinyl]ethyl]acetamide.
What is the SMILES notation for N-[1-(2,3-difluorophenyl)-2-fluoro-1-[5-(hydroxymethyl)-2-pyridinyl]ethyl]acetamide?
The canonical SMILES for N-[1-(2,3-difluorophenyl)-2-fluoro-1-[5-(hydroxymethyl)-2-pyridinyl]ethyl]acetamide is CC(=O)NC(CF)(c1ccc(CO)cn1)c1cccc(F)c1F.
What is the InChIKey of N-[1-(2,3-difluorophenyl)-2-fluoro-1-[5-(hydroxymethyl)-2-pyridinyl]ethyl]acetamide?
The InChIKey is KHIICAKCTCMXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-10(23)21-16(9-17,12-3-2-4-13(18)15(12)19)14-6-5-11(8-22)7-20-14/h2-7,22H,8-9H2,1H3,(H,21,23).
What are the key properties of N-[1-(2,3-difluorophenyl)-2-fluoro-1-[5-(hydroxymethyl)-2-pyridinyl]ethyl]acetamide?
N-[1-(2,3-difluorophenyl)-2-fluoro-1-[5-(hydroxymethyl)-2-pyridinyl]ethyl]acetamide has a molecular weight of 324.30 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-difluorophenyl)-2-fluoro-1-[5-(hydroxymethyl)-2-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 67067998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).