N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluorobenzamide

C15H12F3NO2 — CID 111451432

IUPACN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluorobenzamide
SMILESO=C(NCC(O)c1c(F)cccc1F)c1ccc(F)cc1
InChIInChI=1S/C15H12F3NO2/c16-10-6-4-9(5-7-10)15(21)19-8-13(20)14-11(17)2-1-3-12(14)18/h1-7,13,20H,8H2,(H,19,21)
InChIKeyNHANTVORLZFNLC-UHFFFAOYSA-N
MW295.26 g/mol
LogP2.57
Rot. Bonds4

About N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluorobenzamide

N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluorobenzamide (PubChem CID 111451432) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluorobenzamide
PubChem CID111451432
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC NameN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluorobenzamide
SMILESO=C(NCC(O)c1c(F)cccc1F)c1ccc(F)cc1
InChIInChI=1S/C15H12F3NO2/c16-10-6-4-9(5-7-10)15(21)19-8-13(20)14-11(17)2-1-3-12(14)18/h1-7,13,20H,8H2,(H,19,21)
InChIKeyNHANTVORLZFNLC-UHFFFAOYSA-N
XLogP2.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-methylsulfanylbenzamide
CID 111451310
4-cyano-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide
CID 111451257
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-5-methylpyridine-3-carboxamide
CID 111478300
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 111451534
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)butanamide
CID 111451226
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluoro-1H-indole-2-carboxamide
CID 111451520
N-[(2S)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-2H-chromene-3-carboxamide
CID 96570760
4-fluoro-N-(2-fluoroethyl)benzamide
CID 130478179
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-hydroxy-5-methylbenzamide
CID 111451372
4-fluoro-N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 38800266
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-fluorobenzamide
CID 94310935
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-imidazol-1-ylbenzamide
CID 111451547

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluorobenzamide (CID 111451432) is N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluorobenzamide is O=C(NCC(O)c1c(F)cccc1F)c1ccc(F)cc1.
What is the InChIKey of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluorobenzamide?
The InChIKey is NHANTVORLZFNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c16-10-6-4-9(5-7-10)15(21)19-8-13(20)14-11(17)2-1-3-12(14)18/h1-7,13,20H,8H2,(H,19,21).
What are the key properties of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluorobenzamide?
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluorobenzamide has a molecular weight of 295.26 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluorobenzamide is sourced from PubChem (CID 111451432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).