2-(2,6-difluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide

C16H15F2NO2 — CID 107231725

IUPAC2-(2,6-difluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1c(F)cccc1F)NCc1ccc(CO)cc1
InChIInChI=1S/C16H15F2NO2/c17-14-2-1-3-15(18)13(14)8-16(21)19-9-11-4-6-12(10-20)7-5-11/h1-7,20H,8-10H2,(H,19,21)
InChIKeyUROYWVIKRMOTMU-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.32
Rot. Bonds5

About 2-(2,6-difluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide

2-(2,6-difluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide (PubChem CID 107231725) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
PubChem CID107231725
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name2-(2,6-difluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1c(F)cccc1F)NCc1ccc(CO)cc1
InChIInChI=1S/C16H15F2NO2/c17-14-2-1-3-15(18)13(14)8-16(21)19-9-11-4-6-12(10-20)7-5-11/h1-7,20H,8-10H2,(H,19,21)
InChIKeyUROYWVIKRMOTMU-UHFFFAOYSA-N
XLogP2.32
TPSA49.33 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 ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(bromomethyl)phenyl]methyl]-2-(2,6-difluorophenyl)acetamide
CID 107233811
2-(2,6-difluorophenyl)-N-[[4-(methylamino)phenyl]methyl]acetamide
CID 166293058
2-(2-chloro-6-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 63310904
2-(2-chloro-6-fluorophenyl)-N-[[4-(chloromethyl)phenyl]methyl]acetamide
CID 107233350
2-(2-fluorophenyl)sulfanyl-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
CID 107232672
2-bromo-6-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231275
2-(2,6-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 71683363
2-(7-fluoro-1H-indol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 110851272
2-(2,6-difluorophenyl)-N-(2-methylprop-2-enyl)acetamide
CID 114618657
2-(2-chloro-6-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 17478720
4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide
CID 107231147
2-(2,3-difluorophenyl)-N-[(2-hydroxyphenyl)methyl]acetamide
CID 115687726

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide (CID 107231725) is 2-(2,6-difluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide is O=C(Cc1c(F)cccc1F)NCc1ccc(CO)cc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide?
The InChIKey is UROYWVIKRMOTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c17-14-2-1-3-15(18)13(14)8-16(21)19-9-11-4-6-12(10-20)7-5-11/h1-7,20H,8-10H2,(H,19,21).
What are the key properties of 2-(2,6-difluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide?
2-(2,6-difluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide has a molecular weight of 291.30 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 107231725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).