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

C16H16FNO2 — CID 60717668

IUPACN-ethyl-N-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide
SMILESCCN(C(=O)c1cccc(C)c1O)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO2/c1-3-18(13-9-7-12(17)8-10-13)16(20)14-6-4-5-11(2)15(14)19/h4-10,19H,3H2,1-2H3
InChIKeyPPVBWVDLTSPROE-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.51
Rot. Bonds3

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

N-ethyl-N-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide (PubChem CID 60717668) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is N-ethyl-N-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-ethyl-N-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide
PubChem CID60717668
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC NameN-ethyl-N-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide
SMILESCCN(C(=O)c1cccc(C)c1O)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO2/c1-3-18(13-9-7-12(17)8-10-13)16(20)14-6-4-5-11(2)15(14)19/h4-10,19H,3H2,1-2H3
InChIKeyPPVBWVDLTSPROE-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(4-fluorophenyl)-2,3-dihydroxybenzamide
CID 114344262
2-bromo-N-ethyl-N-(4-fluorophenyl)benzamide
CID 60592661
2-ethoxy-N-ethyl-N-(4-fluorophenyl)benzamide
CID 60592425
N-ethyl-2,3-dihydroxy-N-phenylbenzamide
CID 114343845
N-ethyl-2-(ethylamino)-N-(4-fluorophenyl)benzamide
CID 62180324
N-ethyl-4-fluoro-N-(4-fluorophenyl)-3-methylbenzamide
CID 63213159
N-ethyl-2-hydroxy-3-methyl-N-propan-2-ylbenzamide
CID 43266066
N-(2-cyanoethyl)-2-hydroxy-3-methyl-N-phenylbenzamide
CID 24708338
N-ethyl-N-(4-fluorophenyl)-1H-indole-3-carboxamide
CID 60661185
N-ethyl-4-fluoro-2-methyl-N-(3-methylphenyl)benzamide
CID 115745612
N-(azetidin-3-yl)-N-ethyl-2-hydroxy-3-methylbenzamide
CID 66184674
N-ethyl-N-(4-fluorophenyl)-2-hydroxy-4-methoxybenzamide
CID 60717695

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-ethyl-N-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide (CID 60717668) is N-ethyl-N-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-ethyl-N-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-ethyl-N-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide is CCN(C(=O)c1cccc(C)c1O)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide?
The InChIKey is PPVBWVDLTSPROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-3-18(13-9-7-12(17)8-10-13)16(20)14-6-4-5-11(2)15(14)19/h4-10,19H,3H2,1-2H3.
What are the key properties of N-ethyl-N-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide?
N-ethyl-N-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide has a molecular weight of 273.31 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 60717668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).