2-fluoro-6-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide

C16H16FNO3 — CID 104916567

IUPAC2-fluoro-6-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCc1cccc(OCCNC(=O)c2c(O)cccc2F)c1
InChIInChI=1S/C16H16FNO3/c1-11-4-2-5-12(10-11)21-9-8-18-16(20)15-13(17)6-3-7-14(15)19/h2-7,10,19H,8-9H2,1H3,(H,18,20)
InChIKeyJIGUYBUGOIZGOC-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.65
Rot. Bonds5

About 2-fluoro-6-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide

2-fluoro-6-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide (PubChem CID 104916567) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
PubChem CID104916567
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name2-fluoro-6-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCc1cccc(OCCNC(=O)c2c(O)cccc2F)c1
InChIInChI=1S/C16H16FNO3/c1-11-4-2-5-12(10-11)21-9-8-18-16(20)15-13(17)6-3-7-14(15)19/h2-7,10,19H,8-9H2,1H3,(H,18,20)
InChIKeyJIGUYBUGOIZGOC-UHFFFAOYSA-N
XLogP2.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 114344196
3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 18115620
N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 27859219
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
2-(4-chloro-2-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 100547759
2-bromo-4-chloro-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 103763433
[2-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl] acetate
CID 86574466
6-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 18148810
5-chloro-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide
CID 32754386
3-bromo-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 104852569
4-(bromomethyl)-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 102851528
3,5-diacetamido-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 9489173

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide?
The IUPAC name of 2-fluoro-6-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide (CID 104916567) is 2-fluoro-6-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-6-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 2-fluoro-6-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide is Cc1cccc(OCCNC(=O)c2c(O)cccc2F)c1.
What is the InChIKey of 2-fluoro-6-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide?
The InChIKey is JIGUYBUGOIZGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-11-4-2-5-12(10-11)21-9-8-18-16(20)15-13(17)6-3-7-14(15)19/h2-7,10,19H,8-9H2,1H3,(H,18,20).
What are the key properties of 2-fluoro-6-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide?
2-fluoro-6-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide has a molecular weight of 289.31 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 104916567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).