N-(4-ethylphenyl)-2-fluoro-6-hydroxy-N-methylbenzamide

C16H16FNO2 — CID 107015209

IUPACN-(4-ethylphenyl)-2-fluoro-6-hydroxy-N-methylbenzamide
SMILESCCc1ccc(N(C)C(=O)c2c(O)cccc2F)cc1
InChIInChI=1S/C16H16FNO2/c1-3-11-7-9-12(10-8-11)18(2)16(20)15-13(17)5-4-6-14(15)19/h4-10,19H,3H2,1-2H3
InChIKeyIWDQMYCFSFUUPE-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.37
Rot. Bonds3

About N-(4-ethylphenyl)-2-fluoro-6-hydroxy-N-methylbenzamide

N-(4-ethylphenyl)-2-fluoro-6-hydroxy-N-methylbenzamide (PubChem CID 107015209) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-fluoro-6-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-fluoro-6-hydroxy-N-methylbenzamide
PubChem CID107015209
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC NameN-(4-ethylphenyl)-2-fluoro-6-hydroxy-N-methylbenzamide
SMILESCCc1ccc(N(C)C(=O)c2c(O)cccc2F)cc1
InChIInChI=1S/C16H16FNO2/c1-3-11-7-9-12(10-8-11)18(2)16(20)15-13(17)5-4-6-14(15)19/h4-10,19H,3H2,1-2H3
InChIKeyIWDQMYCFSFUUPE-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminophenyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107013042
2-fluoro-N-(3-fluorophenyl)-6-hydroxy-N-methylbenzamide
CID 104918220
2,6-difluoro-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739175
2,6-difluoro-N-methyl-N-phenylbenzamide
CID 4694325
N-(4-ethylphenyl)-2-fluoro-6-hydroxybenzamide
CID 104916647
N-(4-ethylphenyl)-3,4-dihydroxy-N-methylbenzamide
CID 107728488
2-bromo-6-fluoro-N-methyl-N-(4-methylphenyl)benzamide
CID 113251002
N-(4-ethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 105066566
N-(2-fluorophenyl)-2,6-dihydroxy-N-methylbenzamide
CID 107689336
2-bromo-6-fluoro-N-methyl-N-phenylbenzamide
CID 115678224
N-[(4-aminophenyl)methyl]-N-ethyl-2-fluoro-6-hydroxybenzamide
CID 107013078
N-(4-ethylcyclohexyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 104917885

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-fluoro-6-hydroxy-N-methylbenzamide?
The IUPAC name of N-(4-ethylphenyl)-2-fluoro-6-hydroxy-N-methylbenzamide (CID 107015209) is N-(4-ethylphenyl)-2-fluoro-6-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-fluoro-6-hydroxy-N-methylbenzamide?
The canonical SMILES for N-(4-ethylphenyl)-2-fluoro-6-hydroxy-N-methylbenzamide is CCc1ccc(N(C)C(=O)c2c(O)cccc2F)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-fluoro-6-hydroxy-N-methylbenzamide?
The InChIKey is IWDQMYCFSFUUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-3-11-7-9-12(10-8-11)18(2)16(20)15-13(17)5-4-6-14(15)19/h4-10,19H,3H2,1-2H3.
What are the key properties of N-(4-ethylphenyl)-2-fluoro-6-hydroxy-N-methylbenzamide?
N-(4-ethylphenyl)-2-fluoro-6-hydroxy-N-methylbenzamide has a molecular weight of 273.31 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-fluoro-6-hydroxy-N-methylbenzamide is sourced from PubChem (CID 107015209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).