5-fluoro-2-hydroxy-N-(4-propoxyphenyl)benzamide

C16H16FNO3 — CID 115299069

IUPAC5-fluoro-2-hydroxy-N-(4-propoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2cc(F)ccc2O)cc1
InChIInChI=1S/C16H16FNO3/c1-2-9-21-13-6-4-12(5-7-13)18-16(20)14-10-11(17)3-8-15(14)19/h3-8,10,19H,2,9H2,1H3,(H,18,20)
InChIKeyIILOCDWDZGMMHE-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.57
Rot. Bonds5

About 5-fluoro-2-hydroxy-N-(4-propoxyphenyl)benzamide

5-fluoro-2-hydroxy-N-(4-propoxyphenyl)benzamide (PubChem CID 115299069) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-N-(4-propoxyphenyl)benzamide.

Molecular Properties

Compound Name5-fluoro-2-hydroxy-N-(4-propoxyphenyl)benzamide
PubChem CID115299069
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name5-fluoro-2-hydroxy-N-(4-propoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2cc(F)ccc2O)cc1
InChIInChI=1S/C16H16FNO3/c1-2-9-21-13-6-4-12(5-7-13)18-16(20)14-10-11(17)3-8-15(14)19/h3-8,10,19H,2,9H2,1H3,(H,18,20)
InChIKeyIILOCDWDZGMMHE-UHFFFAOYSA-N
XLogP3.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 79532343
2,4-difluoro-N-(4-propoxyphenyl)benzamide
CID 17178087
N-(3-ethoxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 71459065
2,4-difluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 17178097
4-bromo-3-hydroxy-N-(4-propoxyphenyl)benzamide
CID 103885194
2-chloro-5-hydroxy-N-(4-propoxyphenyl)benzamide
CID 106501743
2-butoxy-N-(4-propoxyphenyl)benzamide
CID 4943156
2-(2-phenoxyethoxy)-N-(4-propoxyphenyl)benzamide
CID 4954419
2,4-dichloro-N-(4-propoxyphenyl)benzamide
CID 4942968
2-(4-fluoroanilino)-N-(4-propoxyphenyl)acetamide
CID 54811098
2-iodo-N-(4-propoxyphenyl)benzamide
CID 4942969
N-(4-ethylphenyl)-2-hydroxy-5-methoxybenzamide
CID 60716192

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydroxy-N-(4-propoxyphenyl)benzamide?
The IUPAC name of 5-fluoro-2-hydroxy-N-(4-propoxyphenyl)benzamide (CID 115299069) is 5-fluoro-2-hydroxy-N-(4-propoxyphenyl)benzamide.
What is the SMILES notation for 5-fluoro-2-hydroxy-N-(4-propoxyphenyl)benzamide?
The canonical SMILES for 5-fluoro-2-hydroxy-N-(4-propoxyphenyl)benzamide is CCCOc1ccc(NC(=O)c2cc(F)ccc2O)cc1.
What is the InChIKey of 5-fluoro-2-hydroxy-N-(4-propoxyphenyl)benzamide?
The InChIKey is IILOCDWDZGMMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-2-9-21-13-6-4-12(5-7-13)18-16(20)14-10-11(17)3-8-15(14)19/h3-8,10,19H,2,9H2,1H3,(H,18,20).
What are the key properties of 5-fluoro-2-hydroxy-N-(4-propoxyphenyl)benzamide?
5-fluoro-2-hydroxy-N-(4-propoxyphenyl)benzamide has a molecular weight of 289.31 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydroxy-N-(4-propoxyphenyl)benzamide is sourced from PubChem (CID 115299069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).