2-(2,3-difluorophenyl)-N-[(2-hydroxyphenyl)methyl]acetamide

C15H13F2NO2 — CID 115687726

IUPAC2-(2,3-difluorophenyl)-N-[(2-hydroxyphenyl)methyl]acetamide
SMILESO=C(Cc1cccc(F)c1F)NCc1ccccc1O
InChIInChI=1S/C15H13F2NO2/c16-12-6-3-5-10(15(12)17)8-14(20)18-9-11-4-1-2-7-13(11)19/h1-7,19H,8-9H2,(H,18,20)
InChIKeyNOQNSSSYVRHREP-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.53
Rot. Bonds4

About 2-(2,3-difluorophenyl)-N-[(2-hydroxyphenyl)methyl]acetamide

2-(2,3-difluorophenyl)-N-[(2-hydroxyphenyl)methyl]acetamide (PubChem CID 115687726) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-N-[(2-hydroxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-N-[(2-hydroxyphenyl)methyl]acetamide
PubChem CID115687726
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name2-(2,3-difluorophenyl)-N-[(2-hydroxyphenyl)methyl]acetamide
SMILESO=C(Cc1cccc(F)c1F)NCc1ccccc1O
InChIInChI=1S/C15H13F2NO2/c16-12-6-3-5-10(15(12)17)8-14(20)18-9-11-4-1-2-7-13(11)19/h1-7,19H,8-9H2,(H,18,20)
InChIKeyNOQNSSSYVRHREP-UHFFFAOYSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(2,3-difluorophenyl)methyl]acetamide
CID 82670923
N-[(2-fluorophenyl)methyl]-3-(2-hydroxyphenyl)propanamide
CID 8571246
N-(2-bromoprop-2-enyl)-2-(2,3-difluorophenyl)acetamide
CID 115686682
N-[[3-(bromomethyl)phenyl]methyl]-2-(2,3-difluorophenyl)acetamide
CID 114313198
N-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78990913
3,4,5-trifluoro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115735463
N-(6-chlorohexyl)-2-(2,3-difluorophenyl)acetamide
CID 107846727
N-[(E)-4-aminobut-2-enyl]-2-(2,3-difluorophenyl)acetamide
CID 113414811
2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 62649874
2-(2,3-difluorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
CID 81486845
2-(2,3-difluorophenyl)acetic acid;hydrochloride
CID 172702403
2-(2,3-difluorophenyl)-N-[2-(2-methoxyethylamino)ethyl]acetamide
CID 82994529

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-N-[(2-hydroxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2,3-difluorophenyl)-N-[(2-hydroxyphenyl)methyl]acetamide (CID 115687726) is 2-(2,3-difluorophenyl)-N-[(2-hydroxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,3-difluorophenyl)-N-[(2-hydroxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,3-difluorophenyl)-N-[(2-hydroxyphenyl)methyl]acetamide is O=C(Cc1cccc(F)c1F)NCc1ccccc1O.
What is the InChIKey of 2-(2,3-difluorophenyl)-N-[(2-hydroxyphenyl)methyl]acetamide?
The InChIKey is NOQNSSSYVRHREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c16-12-6-3-5-10(15(12)17)8-14(20)18-9-11-4-1-2-7-13(11)19/h1-7,19H,8-9H2,(H,18,20).
What are the key properties of 2-(2,3-difluorophenyl)-N-[(2-hydroxyphenyl)methyl]acetamide?
2-(2,3-difluorophenyl)-N-[(2-hydroxyphenyl)methyl]acetamide has a molecular weight of 277.27 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-N-[(2-hydroxyphenyl)methyl]acetamide is sourced from PubChem (CID 115687726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).