3-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide

C16H16FNO2 — CID 61043700

IUPAC3-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
SMILESCC(c1ccc(O)cc1)N(C)C(=O)c1cccc(F)c1
InChIInChI=1S/C16H16FNO2/c1-11(12-6-8-15(19)9-7-12)18(2)16(20)13-4-3-5-14(17)10-13/h3-11,19H,1-2H3
InChIKeySIZFEACTYWOKSX-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.36
Rot. Bonds3

About 3-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide

3-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide (PubChem CID 61043700) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
PubChem CID61043700
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name3-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
SMILESCC(c1ccc(O)cc1)N(C)C(=O)c1cccc(F)c1
InChIInChI=1S/C16H16FNO2/c1-11(12-6-8-15(19)9-7-12)18(2)16(20)13-4-3-5-14(17)10-13/h3-11,19H,1-2H3
InChIKeySIZFEACTYWOKSX-UHFFFAOYSA-N
XLogP3.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 134054213
3-hydroxy-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044546
4-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044668
N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 46691310
3,5-diamino-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide
CID 61111115
3-(difluoromethoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 75869929
N-[1-(4-hydroxyphenyl)ethyl]-N,6-dimethylpyridine-2-carboxamide
CID 61043579
N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(pyridin-3-ylmethoxy)benzamide
CID 55772817
N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60737715
3-(cyclopropylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide
CID 46647625
N-[1-(4-hydroxyphenyl)ethyl]-N,6-dimethylpyridine-3-carboxamide
CID 61044427
N-[1-(4-fluorophenyl)ethyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 51267088

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide?
The IUPAC name of 3-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide (CID 61043700) is 3-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide?
The canonical SMILES for 3-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide is CC(c1ccc(O)cc1)N(C)C(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide?
The InChIKey is SIZFEACTYWOKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11(12-6-8-15(19)9-7-12)18(2)16(20)13-4-3-5-14(17)10-13/h3-11,19H,1-2H3.
What are the key properties of 3-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide?
3-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide has a molecular weight of 273.31 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 61043700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).