3-(3-fluoro-2-hydroxyphenyl)-N-[4-(oxolan-2-yl)butyl]benzamide

C21H24FNO3 — CID 118788734

IUPAC3-(3-fluoro-2-hydroxyphenyl)-N-[4-(oxolan-2-yl)butyl]benzamide
SMILESO=C(NCCCCC1CCCO1)c1cccc(-c2cccc(F)c2O)c1
InChIInChI=1S/C21H24FNO3/c22-19-11-4-10-18(20(19)24)15-6-3-7-16(14-15)21(25)23-12-2-1-8-17-9-5-13-26-17/h3-4,6-7,10-11,14,17,24H,1-2,5,8-9,12-13H2,(H,23,25)
InChIKeyJHIBLBOJODYMSR-UHFFFAOYSA-N
MW357.43 g/mol
LogP4.28
Rot. Bonds7

About 3-(3-fluoro-2-hydroxyphenyl)-N-[4-(oxolan-2-yl)butyl]benzamide

3-(3-fluoro-2-hydroxyphenyl)-N-[4-(oxolan-2-yl)butyl]benzamide (PubChem CID 118788734) has the molecular formula C21H24FNO3 and a molecular weight of 357.43 g/mol. Its IUPAC name is 3-(3-fluoro-2-hydroxyphenyl)-N-[4-(oxolan-2-yl)butyl]benzamide.

Molecular Properties

Compound Name3-(3-fluoro-2-hydroxyphenyl)-N-[4-(oxolan-2-yl)butyl]benzamide
PubChem CID118788734
Molecular FormulaC21H24FNO3
Molecular Weight357.43 g/mol
Exact Mass357.17
IUPAC Name3-(3-fluoro-2-hydroxyphenyl)-N-[4-(oxolan-2-yl)butyl]benzamide
SMILESO=C(NCCCCC1CCCO1)c1cccc(-c2cccc(F)c2O)c1
InChIInChI=1S/C21H24FNO3/c22-19-11-4-10-18(20(19)24)15-6-3-7-16(14-15)21(25)23-12-2-1-8-17-9-5-13-26-17/h3-4,6-7,10-11,14,17,24H,1-2,5,8-9,12-13H2,(H,23,25)
InChIKeyJHIBLBOJODYMSR-UHFFFAOYSA-N
XLogP4.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-fluoro-2-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide
CID 126450624
3-(2-cyanophenyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide
CID 126424383
3-[6-(methylamino)pyridazin-3-yl]-N-[4-(oxolan-2-yl)butyl]benzamide
CID 122556166
3-(6-methoxypyridazin-3-yl)-N-[4-(oxolan-2-yl)butyl]benzamide
CID 118773753
4-(furan-2-yl)-N-[4-(oxolan-2-yl)butyl]benzamide
CID 91781260
2,6-dimethyl-N-[4-(oxolan-2-yl)butyl]pyridine-4-carboxamide
CID 131899729
3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915842
methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate
CID 51086480
3-(3-fluoro-4-pyridinyl)-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide
CID 125159693
6-methyl-N-[4-(oxolan-2-yl)butyl]pyridine-3-carboxamide
CID 135119031
5-chloro-N-[4-(oxolan-2-yl)butyl]pyridine-2-carboxamide
CID 131894667
3-(dimethylamino)-N-[2-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 94022695

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-2-hydroxyphenyl)-N-[4-(oxolan-2-yl)butyl]benzamide?
The IUPAC name of 3-(3-fluoro-2-hydroxyphenyl)-N-[4-(oxolan-2-yl)butyl]benzamide (CID 118788734) is 3-(3-fluoro-2-hydroxyphenyl)-N-[4-(oxolan-2-yl)butyl]benzamide.
What is the SMILES notation for 3-(3-fluoro-2-hydroxyphenyl)-N-[4-(oxolan-2-yl)butyl]benzamide?
The canonical SMILES for 3-(3-fluoro-2-hydroxyphenyl)-N-[4-(oxolan-2-yl)butyl]benzamide is O=C(NCCCCC1CCCO1)c1cccc(-c2cccc(F)c2O)c1.
What is the InChIKey of 3-(3-fluoro-2-hydroxyphenyl)-N-[4-(oxolan-2-yl)butyl]benzamide?
The InChIKey is JHIBLBOJODYMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO3/c22-19-11-4-10-18(20(19)24)15-6-3-7-16(14-15)21(25)23-12-2-1-8-17-9-5-13-26-17/h3-4,6-7,10-11,14,17,24H,1-2,5,8-9,12-13H2,(H,23,25).
What are the key properties of 3-(3-fluoro-2-hydroxyphenyl)-N-[4-(oxolan-2-yl)butyl]benzamide?
3-(3-fluoro-2-hydroxyphenyl)-N-[4-(oxolan-2-yl)butyl]benzamide has a molecular weight of 357.43 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-2-hydroxyphenyl)-N-[4-(oxolan-2-yl)butyl]benzamide is sourced from PubChem (CID 118788734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).