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

C16H16FNO2 — CID 61044668

IUPAC4-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
SMILESCC(c1ccc(O)cc1)N(C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO2/c1-11(12-5-9-15(19)10-6-12)18(2)16(20)13-3-7-14(17)8-4-13/h3-11,19H,1-2H3
InChIKeyBFJIXWSSTQTUDA-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.36
Rot. Bonds3

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

4-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide (PubChem CID 61044668) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
PubChem CID61044668
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name4-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
SMILESCC(c1ccc(O)cc1)N(C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO2/c1-11(12-5-9-15(19)10-6-12)18(2)16(20)13-3-7-14(17)8-4-13/h3-11,19H,1-2H3
InChIKeyBFJIXWSSTQTUDA-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-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61043700
3,5-diamino-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide
CID 61111115
6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 66462106
3-hydroxy-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044546
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
3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]-4-methoxy-N-methylbenzamide
CID 46419830
N-[1-(4-fluorophenyl)ethyl]-3-methoxy-N-methyl-4-propan-2-yloxybenzamide
CID 51267108
2,2-difluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 124671108
N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 42945819
N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide
CID 54913256
N-[1-(4-fluorophenyl)ethyl]-N-methylfuran-2-carboxamide
CID 60698505

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide?
The IUPAC name of 4-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide (CID 61044668) is 4-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 4-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide?
The canonical SMILES for 4-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide is CC(c1ccc(O)cc1)N(C)C(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide?
The InChIKey is BFJIXWSSTQTUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11(12-5-9-15(19)10-6-12)18(2)16(20)13-3-7-14(17)8-4-13/h3-11,19H,1-2H3.
What are the key properties of 4-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide?
4-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 4-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 61044668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).