2-[1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide

C16H15F2NO2 — CID 141444407

IUPAC2-[1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide
SMILESNC(=O)c1ccccc1C(CO)c1cc(F)cc(CF)c1
InChIInChI=1S/C16H15F2NO2/c17-8-10-5-11(7-12(18)6-10)15(9-20)13-3-1-2-4-14(13)16(19)21/h1-7,15,20H,8-9H2,(H2,19,21)
InChIKeyUTNGOTMUMLDCOW-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.52
Rot. Bonds5

About 2-[1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide

2-[1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide (PubChem CID 141444407) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-[1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide.

Molecular Properties

Compound Name2-[1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide
PubChem CID141444407
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name2-[1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide
SMILESNC(=O)c1ccccc1C(CO)c1cc(F)cc(CF)c1
InChIInChI=1S/C16H15F2NO2/c17-8-10-5-11(7-12(18)6-10)15(9-20)13-3-1-2-4-14(13)16(19)21/h1-7,15,20H,8-9H2,(H2,19,21)
InChIKeyUTNGOTMUMLDCOW-UHFFFAOYSA-N
XLogP2.52
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide?
The IUPAC name of 2-[1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide (CID 141444407) is 2-[1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide.
What is the SMILES notation for 2-[1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide?
The canonical SMILES for 2-[1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide is NC(=O)c1ccccc1C(CO)c1cc(F)cc(CF)c1.
What is the InChIKey of 2-[1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide?
The InChIKey is UTNGOTMUMLDCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c17-8-10-5-11(7-12(18)6-10)15(9-20)13-3-1-2-4-14(13)16(19)21/h1-7,15,20H,8-9H2,(H2,19,21).
What are the key properties of 2-[1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide?
2-[1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide has a molecular weight of 291.30 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide is sourced from PubChem (CID 141444407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).