N-(4-ethoxy-3-fluorophenyl)-3-hydroxy-4-methylbenzamide

C16H16FNO3 — CID 115993807

IUPACN-(4-ethoxy-3-fluorophenyl)-3-hydroxy-4-methylbenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(C)c(O)c2)cc1F
InChIInChI=1S/C16H16FNO3/c1-3-21-15-7-6-12(9-13(15)17)18-16(20)11-5-4-10(2)14(19)8-11/h4-9,19H,3H2,1-2H3,(H,18,20)
InChIKeyHAZXDYCRDSHVHB-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.49
Rot. Bonds4

About N-(4-ethoxy-3-fluorophenyl)-3-hydroxy-4-methylbenzamide

N-(4-ethoxy-3-fluorophenyl)-3-hydroxy-4-methylbenzamide (PubChem CID 115993807) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-(4-ethoxy-3-fluorophenyl)-3-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-fluorophenyl)-3-hydroxy-4-methylbenzamide
PubChem CID115993807
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC NameN-(4-ethoxy-3-fluorophenyl)-3-hydroxy-4-methylbenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(C)c(O)c2)cc1F
InChIInChI=1S/C16H16FNO3/c1-3-21-15-7-6-12(9-13(15)17)18-16(20)11-5-4-10(2)14(19)8-11/h4-9,19H,3H2,1-2H3,(H,18,20)
InChIKeyHAZXDYCRDSHVHB-UHFFFAOYSA-N
XLogP3.49
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-fluorobenzamide
CID 103706990
N-(3,4-difluorophenyl)-3,4-diethoxybenzamide
CID 3371741
4-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide
CID 115733832
4-(bromomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide
CID 102852031
N-(4-ethoxy-3-fluorophenyl)-2-hydroxybenzamide
CID 47314298
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzamide
CID 2969739
N-(3-fluoro-4-methoxyphenyl)-4-hydroxy-3-methylbenzamide
CID 103951806
N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide
CID 3371739
N-(4-ethoxy-3-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 115678718
4-ethoxy-3-fluoro-N-(3-methoxyphenyl)benzamide
CID 110762258
methyl N-(4-ethoxy-3-fluorophenyl)carbamate
CID 110777389
2-fluoro-5-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid
CID 60825323

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-fluorophenyl)-3-hydroxy-4-methylbenzamide?
The IUPAC name of N-(4-ethoxy-3-fluorophenyl)-3-hydroxy-4-methylbenzamide (CID 115993807) is N-(4-ethoxy-3-fluorophenyl)-3-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-(4-ethoxy-3-fluorophenyl)-3-hydroxy-4-methylbenzamide?
The canonical SMILES for N-(4-ethoxy-3-fluorophenyl)-3-hydroxy-4-methylbenzamide is CCOc1ccc(NC(=O)c2ccc(C)c(O)c2)cc1F.
What is the InChIKey of N-(4-ethoxy-3-fluorophenyl)-3-hydroxy-4-methylbenzamide?
The InChIKey is HAZXDYCRDSHVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-3-21-15-7-6-12(9-13(15)17)18-16(20)11-5-4-10(2)14(19)8-11/h4-9,19H,3H2,1-2H3,(H,18,20).
What are the key properties of N-(4-ethoxy-3-fluorophenyl)-3-hydroxy-4-methylbenzamide?
N-(4-ethoxy-3-fluorophenyl)-3-hydroxy-4-methylbenzamide has a molecular weight of 289.31 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-fluorophenyl)-3-hydroxy-4-methylbenzamide is sourced from PubChem (CID 115993807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).