N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylbenzamide

C16H16FNO2 — CID 103951657

IUPACN-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)NCCc2ccccc2F)ccc1O
InChIInChI=1S/C16H16FNO2/c1-11-10-13(6-7-15(11)19)16(20)18-9-8-12-4-2-3-5-14(12)17/h2-7,10,19H,8-9H2,1H3,(H,18,20)
InChIKeyJQSZMZQEWZOXRX-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.81
Rot. Bonds4

About N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylbenzamide

N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylbenzamide (PubChem CID 103951657) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylbenzamide
PubChem CID103951657
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)NCCc2ccccc2F)ccc1O
InChIInChI=1S/C16H16FNO2/c1-11-10-13(6-7-15(11)19)16(20)18-9-8-12-4-2-3-5-14(12)17/h2-7,10,19H,8-9H2,1H3,(H,18,20)
InChIKeyJQSZMZQEWZOXRX-UHFFFAOYSA-N
XLogP2.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-3-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 103956274
3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methylbenzamide
CID 81472463
3-fluoro-N-[2-[[N-[2-(2-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-4-methylbenzamide
CID 111362993
4-hydroxy-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103951655
4-hydroxy-3-methyl-N-[2-(3-methylphenyl)ethyl]benzamide
CID 103951860
4-bromo-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 8636623
N-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78990913
2-(3,4-dihydroxyphenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113199033
3-hydroxy-4-iodo-N-[2-(2-methylphenyl)ethyl]benzamide
CID 104627455
3-N,3-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055375
3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053145
4-bromo-3-chloro-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 81306937

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylbenzamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylbenzamide (CID 103951657) is N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylbenzamide is Cc1cc(C(=O)NCCc2ccccc2F)ccc1O.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylbenzamide?
The InChIKey is JQSZMZQEWZOXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11-10-13(6-7-15(11)19)16(20)18-9-8-12-4-2-3-5-14(12)17/h2-7,10,19H,8-9H2,1H3,(H,18,20).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylbenzamide?
N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylbenzamide has a molecular weight of 273.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 103951657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).